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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/professor-34b54938/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/professor-34b54938/inputs/seq.fa: 1 curr_seq: _CCGGGAGGGGCACCAGGGGGGCC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CCGGGAGGGGCACCAGGGGGGCC 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 23 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: 120 n_atoms_counter: 120 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -85.976353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.976353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.976353 (E_RNA) where: Base-Base interactions energy: -0.409 where: short stacking energy: -0.409 Base-Backbone interact. energy: -0.000 local terms energy: -85.567183 where: bonds (distance) C4'-P energy: -22.346 bonds (distance) P-C4' energy: -21.472 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -19.317 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -154.017638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.017638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.017638 (E_RNA) where: Base-Base interactions energy: -74.043 where: short stacking energy: -74.043 Base-Backbone interact. energy: -0.001 local terms energy: -79.973952 where: bonds (distance) C4'-P energy: -16.018 bonds (distance) P-C4' energy: -20.265 flat angles C4'-P-C4' energy: -18.535 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -15.349 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -171.396802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.396802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.396802 (E_RNA) where: Base-Base interactions energy: -96.381 where: short stacking energy: -75.603 Base-Backbone interact. energy: -0.007 local terms energy: -75.008779 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -17.416 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -12.967 tors. eta vs tors. theta energy: -19.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -185.762041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.762041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.762041 (E_RNA) where: Base-Base interactions energy: -121.763 where: short stacking energy: -63.100 Base-Backbone interact. energy: -0.099 local terms energy: -63.900221 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -15.230 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -9.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -140.296124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.296124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.296124 (E_RNA) where: Base-Base interactions energy: -72.262 where: short stacking energy: -45.302 Base-Backbone interact. energy: -0.164 local terms energy: -67.869952 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -18.058 flat angles C4'-P-C4' energy: -18.777 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -134.783860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.783860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.783860 (E_RNA) where: Base-Base interactions energy: -66.928 where: short stacking energy: -66.928 Base-Backbone interact. energy: -0.004 local terms energy: -67.851598 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -15.758 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -118.667037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.667037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.667037 (E_RNA) where: Base-Base interactions energy: -52.245 where: short stacking energy: -40.269 Base-Backbone interact. energy: -0.189 local terms energy: -66.232528 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -18.877 flat angles C4'-P-C4' energy: -16.826 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -114.150288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.150288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.150288 (E_RNA) where: Base-Base interactions energy: -52.712 where: short stacking energy: -52.712 Base-Backbone interact. energy: -0.076 local terms energy: -61.363088 where: bonds (distance) C4'-P energy: -14.932 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -8.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -110.722986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.722986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.722986 (E_RNA) where: Base-Base interactions energy: -58.245 where: short stacking energy: -38.773 Base-Backbone interact. energy: -0.021 local terms energy: -52.457175 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -6.696 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -106.288601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.288601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.288601 (E_RNA) where: Base-Base interactions energy: -54.204 where: short stacking energy: -40.707 Base-Backbone interact. energy: -0.078 local terms energy: -52.007133 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -5.217 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: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -111.531758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.531758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.531758 (E_RNA) where: Base-Base interactions energy: -50.985 where: short stacking energy: -50.985 Base-Backbone interact. energy: -0.111 local terms energy: -60.436329 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -9.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -157.295524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.295524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.295524 (E_RNA) where: Base-Base interactions energy: -81.006 where: short stacking energy: -81.006 Base-Backbone interact. energy: -0.004 local terms energy: -76.285807 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -19.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -206.528199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.528199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.528199 (E_RNA) where: Base-Base interactions energy: -137.501 where: short stacking energy: -71.497 Base-Backbone interact. energy: -0.035 local terms energy: -68.991969 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -16.821 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -189.845325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.845325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.845325 (E_RNA) where: Base-Base interactions energy: -117.061 where: short stacking energy: -78.422 Base-Backbone interact. energy: -0.442 local terms energy: -72.342746 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -16.969 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -182.527801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.527801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.527801 (E_RNA) where: Base-Base interactions energy: -113.093 where: short stacking energy: -61.603 Base-Backbone interact. energy: -0.018 local terms energy: -69.416843 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -20.163 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -14.943 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: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -149.249084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.249084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.249084 (E_RNA) where: Base-Base interactions energy: -81.681 where: short stacking energy: -52.239 Base-Backbone interact. energy: -0.099 local terms energy: -67.469099 where: bonds (distance) C4'-P energy: -19.378 bonds (distance) P-C4' energy: -20.684 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -121.457648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.457648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.457648 (E_RNA) where: Base-Base interactions energy: -78.219 where: short stacking energy: -41.775 Base-Backbone interact. energy: -1.324 local terms energy: -41.915074 where: bonds (distance) C4'-P energy: -4.613 bonds (distance) P-C4' energy: -18.146 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -7.705 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: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -152.302018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.302018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.302018 (E_RNA) where: Base-Base interactions energy: -90.513 where: short stacking energy: -50.197 Base-Backbone interact. energy: -0.387 local terms energy: -61.401081 where: bonds (distance) C4'-P energy: -16.033 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -110.466873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.466873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.466873 (E_RNA) where: Base-Base interactions energy: -49.033 where: short stacking energy: -49.133 Base-Backbone interact. energy: 0.050 local terms energy: -61.483531 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -16.145 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -122.752994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.752994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.752994 (E_RNA) where: Base-Base interactions energy: -71.741 where: short stacking energy: -36.948 Base-Backbone interact. energy: -0.276 local terms energy: -50.736749 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -16.438 flat angles C4'-P-C4' energy: -10.330 flat angles P-C4'-P energy: -9.357 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -91.542090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.542090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.542090 (E_RNA) where: Base-Base interactions energy: -43.045 where: short stacking energy: -35.608 Base-Backbone interact. energy: -0.019 local terms energy: -48.478154 where: bonds (distance) C4'-P energy: -7.830 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -7.901 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: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -224.445023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.445023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.445023 (E_RNA) where: Base-Base interactions energy: -154.644 where: short stacking energy: -84.183 Base-Backbone interact. energy: -0.233 local terms energy: -69.568275 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -12.209 tors. eta vs tors. theta energy: -15.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -157.869879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.869879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.869879 (E_RNA) where: Base-Base interactions energy: -100.052 where: short stacking energy: -65.754 Base-Backbone interact. energy: -0.057 local terms energy: -57.761137 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -15.908 flat angles C4'-P-C4' energy: -14.894 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -7.816 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -187.812498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.812498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.812498 (E_RNA) where: Base-Base interactions energy: -116.524 where: short stacking energy: -64.213 Base-Backbone interact. energy: -1.356 local terms energy: -69.932352 where: bonds (distance) C4'-P energy: -14.453 bonds (distance) P-C4' energy: -16.748 flat angles C4'-P-C4' energy: -17.346 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -15.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -180.280305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.280305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.280305 (E_RNA) where: Base-Base interactions energy: -115.204 where: short stacking energy: -68.572 Base-Backbone interact. energy: -0.394 local terms energy: -64.682157 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -16.557 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -12.124 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: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -172.490855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.490855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.490855 (E_RNA) where: Base-Base interactions energy: -105.728 where: short stacking energy: -56.740 Base-Backbone interact. energy: -1.162 local terms energy: -65.600684 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -13.109 flat angles C4'-P-C4' energy: -15.209 flat angles P-C4'-P energy: -13.114 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -173.239896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.239896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.239896 (E_RNA) where: Base-Base interactions energy: -109.808 where: short stacking energy: -53.410 Base-Backbone interact. energy: -0.845 local terms energy: -62.587626 where: bonds (distance) C4'-P energy: -17.333 bonds (distance) P-C4' energy: -18.376 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -9.587 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: 4 Temperature: 1.200000 Total energy: -165.911624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.911624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.911624 (E_RNA) where: Base-Base interactions energy: -98.488 where: short stacking energy: -68.530 Base-Backbone interact. energy: -0.070 local terms energy: -67.353965 where: bonds (distance) C4'-P energy: -18.782 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -11.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -109.663755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.663755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.663755 (E_RNA) where: Base-Base interactions energy: -45.269 where: short stacking energy: -45.269 Base-Backbone interact. energy: -0.068 local terms energy: -64.327323 where: bonds (distance) C4'-P energy: -16.146 bonds (distance) P-C4' energy: -15.723 flat angles C4'-P-C4' energy: -9.857 flat angles P-C4'-P energy: -10.997 tors. eta vs tors. theta energy: -11.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -115.411406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.411406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.411406 (E_RNA) where: Base-Base interactions energy: -68.924 where: short stacking energy: -49.720 Base-Backbone interact. energy: -0.850 local terms energy: -45.637456 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -107.332895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.332895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.332895 (E_RNA) where: Base-Base interactions energy: -63.075 where: short stacking energy: -34.901 Base-Backbone interact. energy: 0.185 local terms energy: -44.442249 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -16.586 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -6.073 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: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -215.297672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.297672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.297672 (E_RNA) where: Base-Base interactions energy: -141.765 where: short stacking energy: -80.055 Base-Backbone interact. energy: -1.410 local terms energy: -72.122125 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -16.144 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -11.819 tors. eta vs tors. theta energy: -16.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -197.923039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.923039 (E_RNA) where: Base-Base interactions energy: -119.494 where: short stacking energy: -71.458 Base-Backbone interact. energy: -0.086 local terms energy: -78.342852 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -14.415 tors. eta vs tors. theta energy: -16.730 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: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -172.294615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.294615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.294615 (E_RNA) where: Base-Base interactions energy: -114.628 where: short stacking energy: -58.491 Base-Backbone interact. energy: -0.419 local terms energy: -57.247736 where: bonds (distance) C4'-P energy: -17.839 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -5.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -199.675861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.675861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.675861 (E_RNA) where: Base-Base interactions energy: -135.789 where: short stacking energy: -73.371 Base-Backbone interact. energy: -0.142 local terms energy: -63.745216 where: bonds (distance) C4'-P energy: -16.625 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -9.830 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -161.471731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.471731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.471731 (E_RNA) where: Base-Base interactions energy: -103.144 where: short stacking energy: -52.365 Base-Backbone interact. energy: -0.328 local terms energy: -57.999700 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -18.899 flat angles P-C4'-P energy: 0.214 tors. eta vs tors. theta energy: -11.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -176.953722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.953722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.953722 (E_RNA) where: Base-Base interactions energy: -112.507 where: short stacking energy: -58.024 Base-Backbone interact. energy: -0.924 local terms energy: -63.522139 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -17.147 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -8.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -135.170309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.170309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.170309 (E_RNA) where: Base-Base interactions energy: -82.968 where: short stacking energy: -40.156 Base-Backbone interact. energy: -0.143 local terms energy: -52.058942 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -5.137 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: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -99.021588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.021588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.021588 (E_RNA) where: Base-Base interactions energy: -48.187 where: short stacking energy: -46.845 Base-Backbone interact. energy: -0.265 local terms energy: -50.569537 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -17.243 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -108.584068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.584068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.584068 (E_RNA) where: Base-Base interactions energy: -68.417 where: short stacking energy: -36.684 Base-Backbone interact. energy: -0.148 local terms energy: -40.019158 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -1.518 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: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -118.624759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.624759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.624759 (E_RNA) where: Base-Base interactions energy: -64.450 where: short stacking energy: -34.144 Base-Backbone interact. energy: -0.239 local terms energy: -53.936071 where: bonds (distance) C4'-P energy: -16.902 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -217.888496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.888496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.888496 (E_RNA) where: Base-Base interactions energy: -139.630 where: short stacking energy: -82.408 Base-Backbone interact. energy: -0.469 local terms energy: -77.790008 where: bonds (distance) C4'-P energy: -16.871 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -18.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -219.588622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.588622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.588622 (E_RNA) where: Base-Base interactions energy: -141.344 where: short stacking energy: -80.213 Base-Backbone interact. energy: -0.336 local terms energy: -77.908193 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -16.881 flat angles C4'-P-C4' energy: -18.716 flat angles P-C4'-P energy: -10.721 tors. eta vs tors. theta energy: -16.476 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: 6 Temperature: 1.000000 Total energy: -234.129419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.129419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.129419 (E_RNA) where: Base-Base interactions energy: -156.072 where: short stacking energy: -79.117 Base-Backbone interact. energy: -1.162 local terms energy: -76.895017 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -16.402 flat angles C4'-P-C4' energy: -17.953 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -18.470 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: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -178.638042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.638042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.638042 (E_RNA) where: Base-Base interactions energy: -111.602 where: short stacking energy: -63.766 Base-Backbone interact. energy: -0.501 local terms energy: -66.535624 where: bonds (distance) C4'-P energy: -9.672 bonds (distance) P-C4' energy: -18.851 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -8.447 tors. eta vs tors. theta energy: -12.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -182.320520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.320520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.320520 (E_RNA) where: Base-Base interactions energy: -115.863 where: short stacking energy: -56.832 Base-Backbone interact. energy: -0.461 local terms energy: -65.996412 where: bonds (distance) C4'-P energy: -17.942 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -192.092811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.092811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.092811 (E_RNA) where: Base-Base interactions energy: -134.796 where: short stacking energy: -56.308 Base-Backbone interact. energy: 0.257 local terms energy: -57.554445 where: bonds (distance) C4'-P energy: -10.945 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -12.920 tors. eta vs tors. theta energy: -11.388 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: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -158.445017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.445017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.445017 (E_RNA) where: Base-Base interactions energy: -93.259 where: short stacking energy: -56.621 Base-Backbone interact. energy: 0.136 local terms energy: -65.322304 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -16.866 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -11.501 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: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -105.146658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.146658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.146658 (E_RNA) where: Base-Base interactions energy: -57.107 where: short stacking energy: -43.720 Base-Backbone interact. energy: -1.062 local terms energy: -46.978108 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -7.141 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: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -135.227405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.227405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.227405 (E_RNA) where: Base-Base interactions energy: -76.574 where: short stacking energy: -43.325 Base-Backbone interact. energy: 1.361 local terms energy: -60.014893 where: bonds (distance) C4'-P energy: -17.504 bonds (distance) P-C4' energy: -16.571 flat angles C4'-P-C4' energy: -9.887 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -10.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -90.328890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.328890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.328890 (E_RNA) where: Base-Base interactions energy: -43.632 where: short stacking energy: -28.280 Base-Backbone interact. energy: -0.316 local terms energy: -46.380766 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -17.995 flat angles C4'-P-C4' energy: -9.241 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -1.178 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: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -223.444755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.444755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.444755 (E_RNA) where: Base-Base interactions energy: -143.441 where: short stacking energy: -82.114 Base-Backbone interact. energy: -1.243 local terms energy: -78.760967 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -16.603 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -13.745 tors. eta vs tors. theta energy: -20.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -239.550367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.550367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.550367 (E_RNA) where: Base-Base interactions energy: -164.745 where: short stacking energy: -74.497 Base-Backbone interact. energy: -0.188 local terms energy: -74.617128 where: bonds (distance) C4'-P energy: -17.002 bonds (distance) P-C4' energy: -17.288 flat angles C4'-P-C4' energy: -18.920 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -12.388 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: 7 Temperature: 1.000000 Total energy: -222.890463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.890463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.890463 (E_RNA) where: Base-Base interactions energy: -154.287 where: short stacking energy: -70.104 Base-Backbone interact. energy: -0.122 local terms energy: -68.481573 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -18.491 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -203.721358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.721358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.721358 (E_RNA) where: Base-Base interactions energy: -132.454 where: short stacking energy: -65.833 Base-Backbone interact. energy: -1.764 local terms energy: -69.503286 where: bonds (distance) C4'-P energy: -17.867 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -10.815 flat angles P-C4'-P energy: -11.784 tors. eta vs tors. theta energy: -13.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -173.570520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.570520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.570520 (E_RNA) where: Base-Base interactions energy: -111.420 where: short stacking energy: -55.944 Base-Backbone interact. energy: -0.296 local terms energy: -61.854253 where: bonds (distance) C4'-P energy: -16.508 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -16.420 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -10.600 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: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -165.667541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.667541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.667541 (E_RNA) where: Base-Base interactions energy: -100.340 where: short stacking energy: -46.356 Base-Backbone interact. energy: -0.217 local terms energy: -65.110794 where: bonds (distance) C4'-P energy: -19.369 bonds (distance) P-C4' energy: -15.686 flat angles C4'-P-C4' energy: -16.278 flat angles P-C4'-P energy: -8.396 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: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -199.670857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.670857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.670857 (E_RNA) where: Base-Base interactions energy: -134.063 where: short stacking energy: -68.529 Base-Backbone interact. energy: -0.017 local terms energy: -65.590905 where: bonds (distance) C4'-P energy: -15.848 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -11.797 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -113.835447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.835447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.835447 (E_RNA) where: Base-Base interactions energy: -56.788 where: short stacking energy: -45.642 Base-Backbone interact. energy: -0.265 local terms energy: -56.782881 where: bonds (distance) C4'-P energy: -11.351 bonds (distance) P-C4' energy: -15.916 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -8.884 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -97.728734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.728734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.728734 (E_RNA) where: Base-Base interactions energy: -46.492 where: short stacking energy: -38.349 Base-Backbone interact. energy: -0.335 local terms energy: -50.902278 where: bonds (distance) C4'-P energy: -16.924 bonds (distance) P-C4' energy: -8.913 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -11.310 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -111.595879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.595879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.595879 (E_RNA) where: Base-Base interactions energy: -55.233 where: short stacking energy: -36.512 Base-Backbone interact. energy: 0.784 local terms energy: -57.146468 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -13.235 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -233.365536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.365536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.365536 (E_RNA) where: Base-Base interactions energy: -152.851 where: short stacking energy: -74.695 Base-Backbone interact. energy: -0.419 local terms energy: -80.096340 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -17.174 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -12.771 tors. eta vs tors. theta energy: -18.272 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -236.567411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.567411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.567411 (E_RNA) where: Base-Base interactions energy: -161.631 where: short stacking energy: -78.855 Base-Backbone interact. energy: 0.316 local terms energy: -75.251620 where: bonds (distance) C4'-P energy: -15.801 bonds (distance) P-C4' energy: -17.253 flat angles C4'-P-C4' energy: -17.093 flat angles P-C4'-P energy: -10.862 tors. eta vs tors. theta energy: -14.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -200.711915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.711915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.711915 (E_RNA) where: Base-Base interactions energy: -120.275 where: short stacking energy: -66.429 Base-Backbone interact. energy: -2.203 local terms energy: -78.233868 where: bonds (distance) C4'-P energy: -18.808 bonds (distance) P-C4' energy: -15.574 flat angles C4'-P-C4' energy: -17.399 flat angles P-C4'-P energy: -12.634 tors. eta vs tors. theta energy: -13.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -218.819061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.819061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.819061 (E_RNA) where: Base-Base interactions energy: -139.797 where: short stacking energy: -66.911 Base-Backbone interact. energy: -0.474 local terms energy: -78.548790 where: bonds (distance) C4'-P energy: -16.746 bonds (distance) P-C4' energy: -17.678 flat angles C4'-P-C4' energy: -17.872 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -19.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -131.387206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.387206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.387206 (E_RNA) where: Base-Base interactions energy: -54.652 where: short stacking energy: -35.324 Base-Backbone interact. energy: -1.833 local terms energy: -74.902135 where: bonds (distance) C4'-P energy: -17.660 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -18.888 flat angles P-C4'-P energy: -15.846 tors. eta vs tors. theta energy: -7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -165.861816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.861816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.861816 (E_RNA) where: Base-Base interactions energy: -106.386 where: short stacking energy: -54.907 Base-Backbone interact. energy: -0.393 local terms energy: -59.082756 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -12.949 tors. eta vs tors. theta energy: -7.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -191.905179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.905179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.905179 (E_RNA) where: Base-Base interactions energy: -133.546 where: short stacking energy: -59.425 Base-Backbone interact. energy: -0.168 local terms energy: -58.191040 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -15.986 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -8.335 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: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -195.949357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.949357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.949357 (E_RNA) where: Base-Base interactions energy: -133.091 where: short stacking energy: -53.334 Base-Backbone interact. energy: -0.059 local terms energy: -62.799503 where: bonds (distance) C4'-P energy: -16.399 bonds (distance) P-C4' energy: -10.522 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -10.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -156.132511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.132511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.132511 (E_RNA) where: Base-Base interactions energy: -101.046 where: short stacking energy: -51.609 Base-Backbone interact. energy: -0.112 local terms energy: -54.974560 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -10.927 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -12.213 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: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -192.160093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.160093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.160093 (E_RNA) where: Base-Base interactions energy: -130.469 where: short stacking energy: -55.612 Base-Backbone interact. energy: 1.651 local terms energy: -63.341808 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -17.688 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -0.241 tors. eta vs tors. theta energy: -16.490 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: 9 Temperature: 0.900000 Total energy: -225.216154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.216154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.216154 (E_RNA) where: Base-Base interactions energy: -148.706 where: short stacking energy: -76.256 Base-Backbone interact. energy: -0.691 local terms energy: -75.818752 where: bonds (distance) C4'-P energy: -14.254 bonds (distance) P-C4' energy: -17.491 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -19.376 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: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -239.557149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.557149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.557149 (E_RNA) where: Base-Base interactions energy: -165.899 where: short stacking energy: -72.814 Base-Backbone interact. energy: -0.255 local terms energy: -73.403204 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -15.176 flat angles P-C4'-P energy: -12.481 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -201.884688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.884688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.884688 (E_RNA) where: Base-Base interactions energy: -136.818 where: short stacking energy: -66.120 Base-Backbone interact. energy: -0.987 local terms energy: -64.079756 where: bonds (distance) C4'-P energy: -18.273 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -9.473 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -12.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -211.039745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.039745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.039745 (E_RNA) where: Base-Base interactions energy: -130.005 where: short stacking energy: -66.349 Base-Backbone interact. energy: -1.486 local terms energy: -79.548876 where: bonds (distance) C4'-P energy: -17.173 bonds (distance) P-C4' energy: -16.263 flat angles C4'-P-C4' energy: -17.760 flat angles P-C4'-P energy: -9.905 tors. eta vs tors. theta energy: -18.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -156.048966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.048966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.048966 (E_RNA) where: Base-Base interactions energy: -82.980 where: short stacking energy: -62.670 Base-Backbone interact. energy: -0.185 local terms energy: -72.884101 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -18.451 flat angles C4'-P-C4' energy: -16.333 flat angles P-C4'-P energy: -11.606 tors. eta vs tors. theta energy: -12.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -204.274722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.274722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.274722 (E_RNA) where: Base-Base interactions energy: -134.814 where: short stacking energy: -66.570 Base-Backbone interact. energy: -0.053 local terms energy: -69.407613 where: bonds (distance) C4'-P energy: -18.454 bonds (distance) P-C4' energy: -16.828 flat angles C4'-P-C4' energy: -17.143 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -11.599 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: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -230.849995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.849995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.849995 (E_RNA) where: Base-Base interactions energy: -156.714 where: short stacking energy: -69.219 Base-Backbone interact. energy: -0.777 local terms energy: -73.359472 where: bonds (distance) C4'-P energy: -16.298 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -17.046 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: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -191.905280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.905280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.905280 (E_RNA) where: Base-Base interactions energy: -136.012 where: short stacking energy: -66.412 Base-Backbone interact. energy: -0.236 local terms energy: -55.656626 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -18.421 flat angles C4'-P-C4' energy: -10.825 flat angles P-C4'-P energy: -9.141 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: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -137.605502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.605502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.605502 (E_RNA) where: Base-Base interactions energy: -84.664 where: short stacking energy: -50.145 Base-Backbone interact. energy: -0.128 local terms energy: -52.814246 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -16.864 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -196.762753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.762753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.762753 (E_RNA) where: Base-Base interactions energy: -132.127 where: short stacking energy: -65.851 Base-Backbone interact. energy: -0.195 local terms energy: -64.439989 where: bonds (distance) C4'-P energy: -14.957 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -18.025 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -243.687612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.687612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.687612 (E_RNA) where: Base-Base interactions energy: -174.931 where: short stacking energy: -75.111 Base-Backbone interact. energy: -0.484 local terms energy: -68.272419 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -17.148 flat angles C4'-P-C4' energy: -16.236 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -237.146337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.146337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.146337 (E_RNA) where: Base-Base interactions energy: -152.474 where: short stacking energy: -78.386 Base-Backbone interact. energy: -0.809 local terms energy: -83.863931 where: bonds (distance) C4'-P energy: -17.772 bonds (distance) P-C4' energy: -18.249 flat angles C4'-P-C4' energy: -16.310 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -21.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -225.559881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.559881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.559881 (E_RNA) where: Base-Base interactions energy: -148.362 where: short stacking energy: -76.618 Base-Backbone interact. energy: -2.124 local terms energy: -75.074566 where: bonds (distance) C4'-P energy: -17.325 bonds (distance) P-C4' energy: -14.034 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -17.052 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: 7 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -206.627935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.627935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.627935 (E_RNA) where: Base-Base interactions energy: -132.284 where: short stacking energy: -70.732 Base-Backbone interact. energy: -2.004 local terms energy: -72.340254 where: bonds (distance) C4'-P energy: -16.340 bonds (distance) P-C4' energy: -13.611 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -12.151 tors. eta vs tors. theta energy: -16.245 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -203.032332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.032332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.032332 (E_RNA) where: Base-Base interactions energy: -132.260 where: short stacking energy: -58.957 Base-Backbone interact. energy: -0.132 local terms energy: -70.641003 where: bonds (distance) C4'-P energy: -16.808 bonds (distance) P-C4' energy: -17.744 flat angles C4'-P-C4' energy: -16.210 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -159.314085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.314085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.314085 (E_RNA) where: Base-Base interactions energy: -94.941 where: short stacking energy: -55.422 Base-Backbone interact. energy: -0.363 local terms energy: -64.010639 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -17.385 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -240.925894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.925894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.925894 (E_RNA) where: Base-Base interactions energy: -168.203 where: short stacking energy: -68.483 Base-Backbone interact. energy: -0.009 local terms energy: -72.714299 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -17.785 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -201.479926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.479926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.479926 (E_RNA) where: Base-Base interactions energy: -132.667 where: short stacking energy: -54.608 Base-Backbone interact. energy: -0.390 local terms energy: -68.422813 where: bonds (distance) C4'-P energy: -17.110 bonds (distance) P-C4' energy: -18.309 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -12.205 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: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -195.511847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.511847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.511847 (E_RNA) where: Base-Base interactions energy: -125.969 where: short stacking energy: -63.956 Base-Backbone interact. energy: -0.389 local terms energy: -69.154617 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -16.665 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -18.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -142.588003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.588003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.588003 (E_RNA) where: Base-Base interactions energy: -85.366 where: short stacking energy: -37.456 Base-Backbone interact. energy: 0.594 local terms energy: -57.815922 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -6.864 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: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -246.443885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.443885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.443885 (E_RNA) where: Base-Base interactions energy: -167.060 where: short stacking energy: -78.710 Base-Backbone interact. energy: -0.205 local terms energy: -79.179386 where: bonds (distance) C4'-P energy: -19.660 bonds (distance) P-C4' energy: -16.666 flat angles C4'-P-C4' energy: -19.973 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -11.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -211.750164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.750164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.750164 (E_RNA) where: Base-Base interactions energy: -132.198 where: short stacking energy: -71.481 Base-Backbone interact. energy: -0.455 local terms energy: -79.096601 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -17.836 flat angles C4'-P-C4' energy: -19.366 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -17.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -228.712050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.712050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.712050 (E_RNA) where: Base-Base interactions energy: -146.850 where: short stacking energy: -82.069 Base-Backbone interact. energy: -0.781 local terms energy: -81.081087 where: bonds (distance) C4'-P energy: -14.751 bonds (distance) P-C4' energy: -16.980 flat angles C4'-P-C4' energy: -16.750 flat angles P-C4'-P energy: -13.299 tors. eta vs tors. theta energy: -19.302 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: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -206.194114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.194114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.194114 (E_RNA) where: Base-Base interactions energy: -138.165 where: short stacking energy: -64.054 Base-Backbone interact. energy: -0.403 local terms energy: -67.625891 where: bonds (distance) C4'-P energy: -17.333 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -18.054 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -11.193 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: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -204.361478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.361478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.361478 (E_RNA) where: Base-Base interactions energy: -133.477 where: short stacking energy: -71.195 Base-Backbone interact. energy: -0.049 local terms energy: -70.835853 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -18.839 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -14.370 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: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -233.001581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.001581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.001581 (E_RNA) where: Base-Base interactions energy: -161.783 where: short stacking energy: -72.424 Base-Backbone interact. energy: -0.057 local terms energy: -71.161669 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -16.826 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -15.794 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: 1 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -169.365328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.365328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.365328 (E_RNA) where: Base-Base interactions energy: -104.855 where: short stacking energy: -63.696 Base-Backbone interact. energy: -0.089 local terms energy: -64.420699 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -17.560 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -14.864 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: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -225.513810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.513810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.513810 (E_RNA) where: Base-Base interactions energy: -162.814 where: short stacking energy: -69.051 Base-Backbone interact. energy: -0.438 local terms energy: -62.262342 where: bonds (distance) C4'-P energy: -15.736 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -12.327 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -192.573566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.573566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.573566 (E_RNA) where: Base-Base interactions energy: -134.364 where: short stacking energy: -49.743 Base-Backbone interact. energy: -0.187 local terms energy: -58.022636 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -11.449 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: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -119.825600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.825600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.825600 (E_RNA) where: Base-Base interactions energy: -71.005 where: short stacking energy: -39.434 Base-Backbone interact. energy: -0.278 local terms energy: -48.543026 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -0.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -239.406076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.406076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.406076 (E_RNA) where: Base-Base interactions energy: -162.131 where: short stacking energy: -71.008 Base-Backbone interact. energy: -0.165 local terms energy: -77.110198 where: bonds (distance) C4'-P energy: -17.739 bonds (distance) P-C4' energy: -17.368 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -13.469 tors. eta vs tors. theta energy: -13.426 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: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -222.160700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.160700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.160700 (E_RNA) where: Base-Base interactions energy: -149.807 where: short stacking energy: -70.050 Base-Backbone interact. energy: -0.145 local terms energy: -72.208606 where: bonds (distance) C4'-P energy: -17.175 bonds (distance) P-C4' energy: -16.162 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -15.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -226.145042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.145042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.145042 (E_RNA) where: Base-Base interactions energy: -148.172 where: short stacking energy: -85.380 Base-Backbone interact. energy: -2.838 local terms energy: -75.134695 where: bonds (distance) C4'-P energy: -15.289 bonds (distance) P-C4' energy: -16.266 flat angles C4'-P-C4' energy: -15.104 flat angles P-C4'-P energy: -11.016 tors. eta vs tors. theta energy: -17.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -227.676829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.676829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.676829 (E_RNA) where: Base-Base interactions energy: -160.597 where: short stacking energy: -66.661 Base-Backbone interact. energy: -0.155 local terms energy: -66.924531 where: bonds (distance) C4'-P energy: -16.393 bonds (distance) P-C4' energy: -16.778 flat angles C4'-P-C4' energy: -18.878 flat angles P-C4'-P energy: -8.263 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: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -224.326495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.326495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.326495 (E_RNA) where: Base-Base interactions energy: -153.187 where: short stacking energy: -78.741 Base-Backbone interact. energy: -0.001 local terms energy: -71.138512 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -19.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -196.682650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.682650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.682650 (E_RNA) where: Base-Base interactions energy: -125.095 where: short stacking energy: -65.674 Base-Backbone interact. energy: 0.043 local terms energy: -71.630345 where: bonds (distance) C4'-P energy: -15.988 bonds (distance) P-C4' energy: -13.125 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -15.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -238.400095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.400095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.400095 (E_RNA) where: Base-Base interactions energy: -164.211 where: short stacking energy: -69.144 Base-Backbone interact. energy: -0.409 local terms energy: -73.779662 where: bonds (distance) C4'-P energy: -17.834 bonds (distance) P-C4' energy: -17.313 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -124.327707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.327707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.327707 (E_RNA) where: Base-Base interactions energy: -65.181 where: short stacking energy: -45.276 Base-Backbone interact. energy: 0.753 local terms energy: -59.899821 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -14.809 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -194.783577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.783577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.783577 (E_RNA) where: Base-Base interactions energy: -142.467 where: short stacking energy: -48.668 Base-Backbone interact. energy: -1.474 local terms energy: -50.842905 where: bonds (distance) C4'-P energy: -16.666 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -0.907 flat angles P-C4'-P energy: -9.569 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -131.049302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.049302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.049302 (E_RNA) where: Base-Base interactions energy: -73.397 where: short stacking energy: -41.882 Base-Backbone interact. energy: -0.635 local terms energy: -57.017466 where: bonds (distance) C4'-P energy: -11.236 bonds (distance) P-C4' energy: -14.644 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -8.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -244.102154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.102154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.102154 (E_RNA) where: Base-Base interactions energy: -168.490 where: short stacking energy: -77.941 Base-Backbone interact. energy: -0.381 local terms energy: -75.230925 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -18.630 flat angles C4'-P-C4' energy: -17.661 flat angles P-C4'-P energy: -13.423 tors. eta vs tors. theta energy: -8.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -219.999253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.999253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.999253 (E_RNA) where: Base-Base interactions energy: -142.984 where: short stacking energy: -78.295 Base-Backbone interact. energy: -0.232 local terms energy: -76.782932 where: bonds (distance) C4'-P energy: -18.165 bonds (distance) P-C4' energy: -15.510 flat angles C4'-P-C4' energy: -18.581 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -13.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -219.724934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.724934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.724934 (E_RNA) where: Base-Base interactions energy: -143.854 where: short stacking energy: -65.410 Base-Backbone interact. energy: -0.105 local terms energy: -75.765498 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -18.658 flat angles C4'-P-C4' energy: -17.064 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -16.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -255.942199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.942199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.942199 (E_RNA) where: Base-Base interactions energy: -179.942 where: short stacking energy: -75.152 Base-Backbone interact. energy: -0.421 local terms energy: -75.579157 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -15.748 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -12.101 tors. eta vs tors. theta energy: -15.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -248.490284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.490284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.490284 (E_RNA) where: Base-Base interactions energy: -177.658 where: short stacking energy: -73.919 Base-Backbone interact. energy: 0.164 local terms energy: -70.995625 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -13.490 tors. eta vs tors. theta energy: -13.143 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: 13 Temperature: 1.150000 Total energy: -243.734181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.734181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.734181 (E_RNA) where: Base-Base interactions energy: -167.865 where: short stacking energy: -81.283 Base-Backbone interact. energy: 1.051 local terms energy: -76.920813 where: bonds (distance) C4'-P energy: -16.038 bonds (distance) P-C4' energy: -16.945 flat angles C4'-P-C4' energy: -17.623 flat angles P-C4'-P energy: -12.104 tors. eta vs tors. theta energy: -14.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -144.522629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.522629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.522629 (E_RNA) where: Base-Base interactions energy: -88.534 where: short stacking energy: -49.300 Base-Backbone interact. energy: -0.050 local terms energy: -55.938650 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -16.073 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -200.004098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.004098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.004098 (E_RNA) where: Base-Base interactions energy: -134.473 where: short stacking energy: -63.200 Base-Backbone interact. energy: -0.073 local terms energy: -65.457553 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -16.832 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: 9, replica: 1 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -163.875297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.875297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.875297 (E_RNA) where: Base-Base interactions energy: -111.620 where: short stacking energy: -47.146 Base-Backbone interact. energy: -1.341 local terms energy: -50.914211 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -12.561 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -142.003877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.003877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.003877 (E_RNA) where: Base-Base interactions energy: -81.934 where: short stacking energy: -54.737 Base-Backbone interact. energy: -0.034 local terms energy: -60.036332 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -12.994 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: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -241.110264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.110264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.110264 (E_RNA) where: Base-Base interactions energy: -164.679 where: short stacking energy: -76.746 Base-Backbone interact. energy: -0.165 local terms energy: -76.267152 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -19.571 flat angles P-C4'-P energy: -13.692 tors. eta vs tors. theta energy: -15.647 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: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -229.728384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.728384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.728384 (E_RNA) where: Base-Base interactions energy: -148.427 where: short stacking energy: -80.056 Base-Backbone interact. energy: -0.914 local terms energy: -80.387344 where: bonds (distance) C4'-P energy: -19.643 bonds (distance) P-C4' energy: -17.824 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -18.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -255.886480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.886480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.886480 (E_RNA) where: Base-Base interactions energy: -178.097 where: short stacking energy: -81.060 Base-Backbone interact. energy: -1.152 local terms energy: -76.637530 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -19.779 flat angles P-C4'-P energy: -12.602 tors. eta vs tors. theta energy: -13.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -208.841027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.841027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.841027 (E_RNA) where: Base-Base interactions energy: -138.017 where: short stacking energy: -69.077 Base-Backbone interact. energy: -0.094 local terms energy: -70.730299 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -17.379 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -16.611 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: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -255.374246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.374246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.374246 (E_RNA) where: Base-Base interactions energy: -182.065 where: short stacking energy: -81.725 Base-Backbone interact. energy: -0.419 local terms energy: -72.890257 where: bonds (distance) C4'-P energy: -16.783 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -16.386 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -16.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -233.495499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.495499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.495499 (E_RNA) where: Base-Base interactions energy: -168.172 where: short stacking energy: -65.690 Base-Backbone interact. energy: 0.437 local terms energy: -65.759947 where: bonds (distance) C4'-P energy: -15.375 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -12.599 flat angles P-C4'-P energy: -12.161 tors. eta vs tors. theta energy: -12.355 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: 14 Temperature: 1.200000 Total energy: -219.913033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.913033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.913033 (E_RNA) where: Base-Base interactions energy: -144.207 where: short stacking energy: -70.477 Base-Backbone interact. energy: 1.662 local terms energy: -77.368036 where: bonds (distance) C4'-P energy: -18.025 bonds (distance) P-C4' energy: -18.520 flat angles C4'-P-C4' energy: -10.881 flat angles P-C4'-P energy: -11.949 tors. eta vs tors. theta energy: -17.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -125.905932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.905932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.905932 (E_RNA) where: Base-Base interactions energy: -72.975 where: short stacking energy: -37.608 Base-Backbone interact. energy: 0.687 local terms energy: -53.618399 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -3.811 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: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -117.309545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.309545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.309545 (E_RNA) where: Base-Base interactions energy: -62.970 where: short stacking energy: -48.502 Base-Backbone interact. energy: 0.517 local terms energy: -54.856427 where: bonds (distance) C4'-P energy: -6.293 bonds (distance) P-C4' energy: -14.900 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -10.335 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: 10, replica: 1 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -186.571884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.571884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.571884 (E_RNA) where: Base-Base interactions energy: -123.481 where: short stacking energy: -55.632 Base-Backbone interact. energy: 0.030 local terms energy: -63.121637 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -17.179 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -9.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -241.214314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.214314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.214314 (E_RNA) where: Base-Base interactions energy: -164.827 where: short stacking energy: -83.515 Base-Backbone interact. energy: -0.207 local terms energy: -76.180535 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -19.656 flat angles P-C4'-P energy: -13.205 tors. eta vs tors. theta energy: -13.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -261.855955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.855955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.855955 (E_RNA) where: Base-Base interactions energy: -184.370 where: short stacking energy: -82.382 Base-Backbone interact. energy: -0.079 local terms energy: -77.406728 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -16.948 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -12.673 tors. eta vs tors. theta energy: -19.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -221.729589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.729589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.729589 (E_RNA) where: Base-Base interactions energy: -145.090 where: short stacking energy: -80.787 Base-Backbone interact. energy: 0.587 local terms energy: -77.226615 where: bonds (distance) C4'-P energy: -15.963 bonds (distance) P-C4' energy: -14.830 flat angles C4'-P-C4' energy: -16.445 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -19.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -258.361778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.361778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.361778 (E_RNA) where: Base-Base interactions energy: -179.877 where: short stacking energy: -78.460 Base-Backbone interact. energy: -0.387 local terms energy: -78.098042 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -15.797 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -221.594695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.594695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.594695 (E_RNA) where: Base-Base interactions energy: -148.480 where: short stacking energy: -64.988 Base-Backbone interact. energy: -0.280 local terms energy: -72.834776 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -15.541 flat angles P-C4'-P energy: -10.702 tors. eta vs tors. theta energy: -18.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -226.350505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.350505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.350505 (E_RNA) where: Base-Base interactions energy: -154.004 where: short stacking energy: -67.573 Base-Backbone interact. energy: -0.189 local terms energy: -72.156676 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -19.574 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: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -228.947715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.947715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.947715 (E_RNA) where: Base-Base interactions energy: -162.851 where: short stacking energy: -54.168 Base-Backbone interact. energy: -0.160 local terms energy: -65.936554 where: bonds (distance) C4'-P energy: -15.601 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -93.281971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.281971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.281971 (E_RNA) where: Base-Base interactions energy: -34.109 where: short stacking energy: -30.465 Base-Backbone interact. energy: -1.223 local terms energy: -57.949621 where: bonds (distance) C4'-P energy: -15.900 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -1.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -126.457276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.457276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.457276 (E_RNA) where: Base-Base interactions energy: -72.354 where: short stacking energy: -48.045 Base-Backbone interact. energy: -0.047 local terms energy: -54.056024 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -16.492 flat angles P-C4'-P energy: -0.896 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: 10, replica: 1 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -197.807983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.807983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.807983 (E_RNA) where: Base-Base interactions energy: -134.713 where: short stacking energy: -60.511 Base-Backbone interact. energy: -0.607 local terms energy: -62.487569 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -15.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -265.704342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.704342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.704342 (E_RNA) where: Base-Base interactions energy: -181.274 where: short stacking energy: -85.409 Base-Backbone interact. energy: 0.381 local terms energy: -84.810805 where: bonds (distance) C4'-P energy: -17.768 bonds (distance) P-C4' energy: -19.905 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -13.306 tors. eta vs tors. theta energy: -18.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -242.571441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.571441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.571441 (E_RNA) where: Base-Base interactions energy: -167.561 where: short stacking energy: -81.341 Base-Backbone interact. energy: -0.117 local terms energy: -74.893273 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -15.961 flat angles C4'-P-C4' energy: -19.460 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -13.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -267.770280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.770280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.770280 (E_RNA) where: Base-Base interactions energy: -189.884 where: short stacking energy: -80.631 Base-Backbone interact. energy: -0.126 local terms energy: -77.759923 where: bonds (distance) C4'-P energy: -12.653 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -18.016 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -19.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -213.148882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.148882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.148882 (E_RNA) where: Base-Base interactions energy: -135.595 where: short stacking energy: -73.023 Base-Backbone interact. energy: -1.468 local terms energy: -76.085969 where: bonds (distance) C4'-P energy: -19.022 bonds (distance) P-C4' energy: -16.452 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -19.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -225.335683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.335683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.335683 (E_RNA) where: Base-Base interactions energy: -154.519 where: short stacking energy: -65.613 Base-Backbone interact. energy: 0.693 local terms energy: -71.510121 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -17.061 flat angles C4'-P-C4' energy: -16.415 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -225.564987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.564987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.564987 (E_RNA) where: Base-Base interactions energy: -160.798 where: short stacking energy: -84.091 Base-Backbone interact. energy: 0.255 local terms energy: -65.022195 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -16.361 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -20.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -237.150906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.150906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.150906 (E_RNA) where: Base-Base interactions energy: -169.348 where: short stacking energy: -67.793 Base-Backbone interact. energy: -0.178 local terms energy: -67.624386 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -17.718 flat angles C4'-P-C4' energy: -17.783 flat angles P-C4'-P energy: -7.552 tors. eta vs tors. theta energy: -11.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -114.012338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.012338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.012338 (E_RNA) where: Base-Base interactions energy: -59.303 where: short stacking energy: -48.150 Base-Backbone interact. energy: -0.012 local terms energy: -54.697283 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -195.437889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.437889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.437889 (E_RNA) where: Base-Base interactions energy: -132.985 where: short stacking energy: -61.341 Base-Backbone interact. energy: 2.537 local terms energy: -64.990201 where: bonds (distance) C4'-P energy: -13.601 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -11.951 tors. eta vs tors. theta energy: -9.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -114.842611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.842611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.842611 (E_RNA) where: Base-Base interactions energy: -71.926 where: short stacking energy: -35.053 Base-Backbone interact. energy: -0.279 local terms energy: -42.637028 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: 0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -262.170703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.170703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.170703 (E_RNA) where: Base-Base interactions energy: -190.585 where: short stacking energy: -90.586 Base-Backbone interact. energy: -0.241 local terms energy: -71.344829 where: bonds (distance) C4'-P energy: -9.051 bonds (distance) P-C4' energy: -15.781 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -12.125 tors. eta vs tors. theta energy: -19.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -251.330501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.330501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.330501 (E_RNA) where: Base-Base interactions energy: -168.287 where: short stacking energy: -79.561 Base-Backbone interact. energy: 0.276 local terms energy: -83.319980 where: bonds (distance) C4'-P energy: -15.662 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -19.828 flat angles P-C4'-P energy: -13.593 tors. eta vs tors. theta energy: -17.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -230.829506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.829506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.829506 (E_RNA) where: Base-Base interactions energy: -165.777 where: short stacking energy: -77.404 Base-Backbone interact. energy: -0.101 local terms energy: -64.951106 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -11.407 flat angles C4'-P-C4' energy: -15.274 flat angles P-C4'-P energy: -13.176 tors. eta vs tors. theta energy: -10.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -228.363422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.363422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.363422 (E_RNA) where: Base-Base interactions energy: -152.454 where: short stacking energy: -84.295 Base-Backbone interact. energy: -0.210 local terms energy: -75.699470 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -19.339 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: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -214.387670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.387670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.387670 (E_RNA) where: Base-Base interactions energy: -129.300 where: short stacking energy: -73.294 Base-Backbone interact. energy: -1.892 local terms energy: -83.195612 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -18.637 flat angles C4'-P-C4' energy: -18.262 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -22.374 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: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -227.040857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.040857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.040857 (E_RNA) where: Base-Base interactions energy: -160.481 where: short stacking energy: -52.337 Base-Backbone interact. energy: 0.257 local terms energy: -66.816790 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -16.227 flat angles P-C4'-P energy: -12.735 tors. eta vs tors. theta energy: -8.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -199.454979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.454979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.454979 (E_RNA) where: Base-Base interactions energy: -133.164 where: short stacking energy: -65.826 Base-Backbone interact. energy: -0.152 local terms energy: -66.139844 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -16.170 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -14.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -232.353680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.353680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.353680 (E_RNA) where: Base-Base interactions energy: -158.166 where: short stacking energy: -70.654 Base-Backbone interact. energy: -0.112 local terms energy: -74.076378 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -18.768 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -12.095 tors. eta vs tors. theta energy: -16.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -115.524461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.524461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.524461 (E_RNA) where: Base-Base interactions energy: -63.385 where: short stacking energy: -51.598 Base-Backbone interact. energy: 0.245 local terms energy: -52.384708 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -5.727 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: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -113.215784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.215784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.215784 (E_RNA) where: Base-Base interactions energy: -52.522 where: short stacking energy: -43.196 Base-Backbone interact. energy: -0.595 local terms energy: -60.099267 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -16.120 flat angles C4'-P-C4' energy: -17.850 flat angles P-C4'-P energy: -8.892 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: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -287.883275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.883275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.883275 (E_RNA) where: Base-Base interactions energy: -206.432 where: short stacking energy: -75.936 Base-Backbone interact. energy: 0.008 local terms energy: -81.458586 where: bonds (distance) C4'-P energy: -17.376 bonds (distance) P-C4' energy: -17.573 flat angles C4'-P-C4' energy: -17.121 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -18.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -260.076477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.076477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.076477 (E_RNA) where: Base-Base interactions energy: -176.528 where: short stacking energy: -72.041 Base-Backbone interact. energy: -0.178 local terms energy: -83.370094 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -18.486 flat angles C4'-P-C4' energy: -19.262 flat angles P-C4'-P energy: -16.261 tors. eta vs tors. theta energy: -17.212 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: 18 Temperature: 1.000000 Total energy: -242.573596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.573596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.573596 (E_RNA) where: Base-Base interactions energy: -159.887 where: short stacking energy: -86.084 Base-Backbone interact. energy: -0.049 local terms energy: -82.637584 where: bonds (distance) C4'-P energy: -17.955 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -16.130 flat angles P-C4'-P energy: -14.215 tors. eta vs tors. theta energy: -20.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -219.488288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.488288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.488288 (E_RNA) where: Base-Base interactions energy: -154.211 where: short stacking energy: -68.811 Base-Backbone interact. energy: -0.227 local terms energy: -65.050145 where: bonds (distance) C4'-P energy: -15.756 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -14.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -254.766715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.766715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.766715 (E_RNA) where: Base-Base interactions energy: -186.054 where: short stacking energy: -79.586 Base-Backbone interact. energy: -0.441 local terms energy: -68.270938 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -14.164 tors. eta vs tors. theta energy: -11.784 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: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -199.437168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.437168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.437168 (E_RNA) where: Base-Base interactions energy: -130.234 where: short stacking energy: -64.830 Base-Backbone interact. energy: -0.150 local terms energy: -69.053726 where: bonds (distance) C4'-P energy: -17.528 bonds (distance) P-C4' energy: -15.507 flat angles C4'-P-C4' energy: -18.205 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -12.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -229.450235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.450235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.450235 (E_RNA) where: Base-Base interactions energy: -161.747 where: short stacking energy: -69.946 Base-Backbone interact. energy: -0.714 local terms energy: -66.989256 where: bonds (distance) C4'-P energy: -17.735 bonds (distance) P-C4' energy: -13.375 flat angles C4'-P-C4' energy: -12.709 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: -15.944 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: 18 Temperature: 1.250000 Total energy: -202.744324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.744324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.744324 (E_RNA) where: Base-Base interactions energy: -132.481 where: short stacking energy: -58.278 Base-Backbone interact. energy: -0.708 local terms energy: -69.554486 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -18.547 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -12.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -100.789585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.789585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.789585 (E_RNA) where: Base-Base interactions energy: -47.095 where: short stacking energy: -34.904 Base-Backbone interact. energy: -0.164 local terms energy: -53.530591 where: bonds (distance) C4'-P energy: -16.767 bonds (distance) P-C4' energy: -16.921 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -10.072 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: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -148.330296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.330296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.330296 (E_RNA) where: Base-Base interactions energy: -92.830 where: short stacking energy: -48.515 Base-Backbone interact. energy: 0.455 local terms energy: -55.955903 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -10.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -276.500316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.500316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.500316 (E_RNA) where: Base-Base interactions energy: -197.970 where: short stacking energy: -80.169 Base-Backbone interact. energy: -0.365 local terms energy: -78.165346 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -18.525 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -18.868 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: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -263.165362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.165362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.165362 (E_RNA) where: Base-Base interactions energy: -179.662 where: short stacking energy: -87.790 Base-Backbone interact. energy: -0.833 local terms energy: -82.670812 where: bonds (distance) C4'-P energy: -15.401 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -18.393 flat angles P-C4'-P energy: -12.632 tors. eta vs tors. theta energy: -19.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -247.514430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.514430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.514430 (E_RNA) where: Base-Base interactions energy: -161.837 where: short stacking energy: -94.417 Base-Backbone interact. energy: -0.025 local terms energy: -85.651845 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -18.501 flat angles C4'-P-C4' energy: -16.651 flat angles P-C4'-P energy: -11.013 tors. eta vs tors. theta energy: -24.368 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: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -225.254946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.254946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.254946 (E_RNA) where: Base-Base interactions energy: -148.600 where: short stacking energy: -72.898 Base-Backbone interact. energy: -0.040 local terms energy: -76.615227 where: bonds (distance) C4'-P energy: -16.394 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -16.914 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -17.074 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: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -267.210059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.210059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.210059 (E_RNA) where: Base-Base interactions energy: -192.818 where: short stacking energy: -71.932 Base-Backbone interact. energy: -1.020 local terms energy: -73.372512 where: bonds (distance) C4'-P energy: -16.766 bonds (distance) P-C4' energy: -18.194 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -15.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -212.760098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.760098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.760098 (E_RNA) where: Base-Base interactions energy: -141.031 where: short stacking energy: -66.182 Base-Backbone interact. energy: -0.018 local terms energy: -71.711760 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -11.064 flat angles C4'-P-C4' energy: -18.961 flat angles P-C4'-P energy: -13.719 tors. eta vs tors. theta energy: -12.219 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: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -189.283308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.283308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.283308 (E_RNA) where: Base-Base interactions energy: -117.080 where: short stacking energy: -59.054 Base-Backbone interact. energy: -0.531 local terms energy: -71.671417 where: bonds (distance) C4'-P energy: -16.075 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -15.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -215.155857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.155857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.155857 (E_RNA) where: Base-Base interactions energy: -141.765 where: short stacking energy: -70.784 Base-Backbone interact. energy: 4.633 local terms energy: -78.023771 where: bonds (distance) C4'-P energy: -17.022 bonds (distance) P-C4' energy: -16.390 flat angles C4'-P-C4' energy: -16.987 flat angles P-C4'-P energy: -13.173 tors. eta vs tors. theta energy: -14.452 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -105.713007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.713007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.713007 (E_RNA) where: Base-Base interactions energy: -54.112 where: short stacking energy: -35.650 Base-Backbone interact. energy: -0.004 local terms energy: -51.597148 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -8.716 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -93.654710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.654710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.654710 (E_RNA) where: Base-Base interactions energy: -45.324 where: short stacking energy: -37.131 Base-Backbone interact. energy: -0.388 local terms energy: -47.942492 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -7.371 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: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -276.131514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.131514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.131514 (E_RNA) where: Base-Base interactions energy: -190.279 where: short stacking energy: -85.959 Base-Backbone interact. energy: -0.670 local terms energy: -85.182212 where: bonds (distance) C4'-P energy: -17.316 bonds (distance) P-C4' energy: -18.066 flat angles C4'-P-C4' energy: -19.574 flat angles P-C4'-P energy: -13.269 tors. eta vs tors. theta energy: -16.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -263.640030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.640030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.640030 (E_RNA) where: Base-Base interactions energy: -185.091 where: short stacking energy: -88.160 Base-Backbone interact. energy: -0.153 local terms energy: -78.395476 where: bonds (distance) C4'-P energy: -18.257 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -17.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -227.699975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.699975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.699975 (E_RNA) where: Base-Base interactions energy: -151.963 where: short stacking energy: -71.519 Base-Backbone interact. energy: -0.375 local terms energy: -75.361569 where: bonds (distance) C4'-P energy: -15.991 bonds (distance) P-C4' energy: -16.831 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -15.731 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: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -244.124933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.124933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.124933 (E_RNA) where: Base-Base interactions energy: -164.282 where: short stacking energy: -86.339 Base-Backbone interact. energy: -0.077 local terms energy: -79.765040 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -18.473 flat angles P-C4'-P energy: -10.377 tors. eta vs tors. theta energy: -23.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -261.513344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.513344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.513344 (E_RNA) where: Base-Base interactions energy: -185.392 where: short stacking energy: -68.723 Base-Backbone interact. energy: 0.977 local terms energy: -77.098314 where: bonds (distance) C4'-P energy: -16.308 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -18.238 flat angles P-C4'-P energy: -12.842 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -218.145910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.145910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.145910 (E_RNA) where: Base-Base interactions energy: -145.376 where: short stacking energy: -72.506 Base-Backbone interact. energy: -0.078 local terms energy: -72.692126 where: bonds (distance) C4'-P energy: -13.621 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -16.904 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -15.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -180.912131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.912131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.912131 (E_RNA) where: Base-Base interactions energy: -114.491 where: short stacking energy: -50.555 Base-Backbone interact. energy: -0.010 local terms energy: -66.410997 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -17.439 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -13.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -200.737250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.737250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.737250 (E_RNA) where: Base-Base interactions energy: -124.821 where: short stacking energy: -60.169 Base-Backbone interact. energy: 0.015 local terms energy: -75.931101 where: bonds (distance) C4'-P energy: -16.435 bonds (distance) P-C4' energy: -17.809 flat angles C4'-P-C4' energy: -18.508 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -15.086 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: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -98.902426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.902426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.902426 (E_RNA) where: Base-Base interactions energy: -42.979 where: short stacking energy: -42.979 Base-Backbone interact. energy: -0.096 local terms energy: -55.826768 where: bonds (distance) C4'-P energy: -14.572 bonds (distance) P-C4' energy: -19.302 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -9.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -106.005693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.005693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.005693 (E_RNA) where: Base-Base interactions energy: -48.639 where: short stacking energy: -40.678 Base-Backbone interact. energy: -0.431 local terms energy: -56.935913 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -276.271301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.271301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.271301 (E_RNA) where: Base-Base interactions energy: -190.848 where: short stacking energy: -83.288 Base-Backbone interact. energy: -0.601 local terms energy: -84.822064 where: bonds (distance) C4'-P energy: -19.797 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -18.138 flat angles P-C4'-P energy: -13.372 tors. eta vs tors. theta energy: -18.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -258.731296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.731296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.731296 (E_RNA) where: Base-Base interactions energy: -176.368 where: short stacking energy: -80.281 Base-Backbone interact. energy: -0.078 local terms energy: -82.286030 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -18.001 flat angles C4'-P-C4' energy: -17.168 flat angles P-C4'-P energy: -14.525 tors. eta vs tors. theta energy: -17.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -244.090108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.090108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.090108 (E_RNA) where: Base-Base interactions energy: -160.212 where: short stacking energy: -76.229 Base-Backbone interact. energy: -0.285 local terms energy: -83.593427 where: bonds (distance) C4'-P energy: -16.394 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -17.646 flat angles P-C4'-P energy: -13.224 tors. eta vs tors. theta energy: -18.141 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: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -262.876215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.876215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.876215 (E_RNA) where: Base-Base interactions energy: -196.568 where: short stacking energy: -78.664 Base-Backbone interact. energy: -0.621 local terms energy: -65.686991 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -16.592 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -12.723 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: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -221.422583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.422583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.422583 (E_RNA) where: Base-Base interactions energy: -145.780 where: short stacking energy: -80.020 Base-Backbone interact. energy: 0.349 local terms energy: -75.991657 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -17.053 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -164.378045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.378045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.378045 (E_RNA) where: Base-Base interactions energy: -100.301 where: short stacking energy: -54.428 Base-Backbone interact. energy: -0.737 local terms energy: -63.340117 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -15.047 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: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -199.263999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.263999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.263999 (E_RNA) where: Base-Base interactions energy: -131.216 where: short stacking energy: -56.893 Base-Backbone interact. energy: 2.870 local terms energy: -70.917699 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -17.421 flat angles C4'-P-C4' energy: -18.932 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -205.478788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.478788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.478788 (E_RNA) where: Base-Base interactions energy: -141.730 where: short stacking energy: -71.446 Base-Backbone interact. energy: -0.057 local terms energy: -63.691852 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -16.220 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: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -86.660536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.660536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.660536 (E_RNA) where: Base-Base interactions energy: -45.600 where: short stacking energy: -45.600 Base-Backbone interact. energy: 0.024 local terms energy: -41.084905 where: bonds (distance) C4'-P energy: -11.591 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -9.969 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -96.716930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.716930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.716930 (E_RNA) where: Base-Base interactions energy: -44.029 where: short stacking energy: -30.152 Base-Backbone interact. energy: -0.695 local terms energy: -51.993653 where: bonds (distance) C4'-P energy: -10.699 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -16.771 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -0.195 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: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -257.654964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.654964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.654964 (E_RNA) where: Base-Base interactions energy: -175.334 where: short stacking energy: -78.631 Base-Backbone interact. energy: -0.985 local terms energy: -81.335988 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -18.787 flat angles C4'-P-C4' energy: -20.085 flat angles P-C4'-P energy: -13.351 tors. eta vs tors. theta energy: -18.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -274.997344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.997344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.997344 (E_RNA) where: Base-Base interactions energy: -192.223 where: short stacking energy: -89.166 Base-Backbone interact. energy: -0.695 local terms energy: -82.078873 where: bonds (distance) C4'-P energy: -17.041 bonds (distance) P-C4' energy: -17.092 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -21.807 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: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -239.717333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.717333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.717333 (E_RNA) where: Base-Base interactions energy: -166.333 where: short stacking energy: -72.981 Base-Backbone interact. energy: -0.114 local terms energy: -73.270581 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -17.531 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -18.205 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: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -259.777011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.777011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.777011 (E_RNA) where: Base-Base interactions energy: -184.973 where: short stacking energy: -67.032 Base-Backbone interact. energy: -0.945 local terms energy: -73.859195 where: bonds (distance) C4'-P energy: -15.939 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -17.976 flat angles P-C4'-P energy: -13.657 tors. eta vs tors. theta energy: -13.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -228.015876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.015876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.015876 (E_RNA) where: Base-Base interactions energy: -157.115 where: short stacking energy: -85.757 Base-Backbone interact. energy: -0.382 local terms energy: -70.518438 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -24.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -153.623113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.623113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.623113 (E_RNA) where: Base-Base interactions energy: -84.619 where: short stacking energy: -47.142 Base-Backbone interact. energy: 0.565 local terms energy: -69.569922 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -19.499 flat angles C4'-P-C4' energy: -18.133 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -7.027 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: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -200.997679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.997679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.997679 (E_RNA) where: Base-Base interactions energy: -133.105 where: short stacking energy: -65.542 Base-Backbone interact. energy: 0.940 local terms energy: -68.832338 where: bonds (distance) C4'-P energy: -16.033 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -207.301006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.301006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.301006 (E_RNA) where: Base-Base interactions energy: -143.467 where: short stacking energy: -59.212 Base-Backbone interact. energy: -0.231 local terms energy: -63.603214 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -17.137 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -11.248 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: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -91.156379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.156379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.156379 (E_RNA) where: Base-Base interactions energy: -45.790 where: short stacking energy: -38.357 Base-Backbone interact. energy: 0.480 local terms energy: -45.846128 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -19.582 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -7.778 tors. eta vs tors. theta energy: 0.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -94.185045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.185045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.185045 (E_RNA) where: Base-Base interactions energy: -47.156 where: short stacking energy: -32.681 Base-Backbone interact. energy: -0.119 local terms energy: -46.910466 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -17.216 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -264.106114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.106114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.106114 (E_RNA) where: Base-Base interactions energy: -185.233 where: short stacking energy: -88.070 Base-Backbone interact. energy: -0.214 local terms energy: -78.659302 where: bonds (distance) C4'-P energy: -15.971 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -18.901 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -19.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -272.142229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.142229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.142229 (E_RNA) where: Base-Base interactions energy: -195.712 where: short stacking energy: -84.021 Base-Backbone interact. energy: -0.376 local terms energy: -76.053817 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -17.290 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -20.391 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: 3, replica: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -232.752805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.752805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.752805 (E_RNA) where: Base-Base interactions energy: -156.922 where: short stacking energy: -71.509 Base-Backbone interact. energy: 0.060 local terms energy: -75.891337 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -19.740 flat angles C4'-P-C4' energy: -17.010 flat angles P-C4'-P energy: -11.312 tors. eta vs tors. theta energy: -14.648 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: 23 Temperature: 1.050000 Total energy: -266.407172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.407172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.407172 (E_RNA) where: Base-Base interactions energy: -194.084 where: short stacking energy: -76.072 Base-Backbone interact. energy: -0.614 local terms energy: -71.709891 where: bonds (distance) C4'-P energy: -16.103 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -16.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -228.230757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.230757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.230757 (E_RNA) where: Base-Base interactions energy: -145.581 where: short stacking energy: -78.581 Base-Backbone interact. energy: -2.769 local terms energy: -79.881391 where: bonds (distance) C4'-P energy: -14.157 bonds (distance) P-C4' energy: -17.166 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -14.257 tors. eta vs tors. theta energy: -19.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -212.733882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.733882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.733882 (E_RNA) where: Base-Base interactions energy: -140.772 where: short stacking energy: -62.547 Base-Backbone interact. energy: -0.012 local terms energy: -71.949607 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -18.400 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -16.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -160.308541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.308541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.308541 (E_RNA) where: Base-Base interactions energy: -97.865 where: short stacking energy: -55.414 Base-Backbone interact. energy: -0.531 local terms energy: -61.912659 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -18.630 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -11.382 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: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -201.542040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.542040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.542040 (E_RNA) where: Base-Base interactions energy: -127.502 where: short stacking energy: -59.419 Base-Backbone interact. energy: -0.024 local terms energy: -74.016437 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -18.848 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -11.814 tors. eta vs tors. theta energy: -15.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -104.990981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.990981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.990981 (E_RNA) where: Base-Base interactions energy: -57.944 where: short stacking energy: -43.115 Base-Backbone interact. energy: -0.080 local terms energy: -46.966904 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -92.123072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.123072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.123072 (E_RNA) where: Base-Base interactions energy: -42.478 where: short stacking energy: -42.478 Base-Backbone interact. energy: -0.133 local terms energy: -49.512460 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -285.922968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.922968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.922968 (E_RNA) where: Base-Base interactions energy: -197.683 where: short stacking energy: -82.657 Base-Backbone interact. energy: -0.529 local terms energy: -87.711575 where: bonds (distance) C4'-P energy: -18.161 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -17.282 flat angles P-C4'-P energy: -15.178 tors. eta vs tors. theta energy: -19.860 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -276.208324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.208324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.208324 (E_RNA) where: Base-Base interactions energy: -191.711 where: short stacking energy: -88.565 Base-Backbone interact. energy: -0.091 local terms energy: -84.406306 where: bonds (distance) C4'-P energy: -16.612 bonds (distance) P-C4' energy: -17.925 flat angles C4'-P-C4' energy: -17.064 flat angles P-C4'-P energy: -14.329 tors. eta vs tors. theta energy: -18.475 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: 5 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -269.286316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.286316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.286316 (E_RNA) where: Base-Base interactions energy: -201.383 where: short stacking energy: -80.345 Base-Backbone interact. energy: -1.147 local terms energy: -66.756577 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -17.805 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -14.089 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: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -227.577732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.577732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.577732 (E_RNA) where: Base-Base interactions energy: -153.757 where: short stacking energy: -72.096 Base-Backbone interact. energy: -0.200 local terms energy: -73.620668 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -18.302 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -15.912 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: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -227.434296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.434296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.434296 (E_RNA) where: Base-Base interactions energy: -145.674 where: short stacking energy: -79.898 Base-Backbone interact. energy: -0.011 local terms energy: -81.748665 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -18.413 flat angles C4'-P-C4' energy: -15.781 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -21.634 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: 10 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -219.032264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.032264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.032264 (E_RNA) where: Base-Base interactions energy: -149.081 where: short stacking energy: -72.249 Base-Backbone interact. energy: -0.011 local terms energy: -69.940090 where: bonds (distance) C4'-P energy: -11.058 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -16.408 flat angles P-C4'-P energy: -11.994 tors. eta vs tors. theta energy: -17.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -214.460715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.460715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.460715 (E_RNA) where: Base-Base interactions energy: -147.057 where: short stacking energy: -75.234 Base-Backbone interact. energy: 0.318 local terms energy: -67.720763 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -18.777 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -141.871827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.871827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.871827 (E_RNA) where: Base-Base interactions energy: -78.945 where: short stacking energy: -39.061 Base-Backbone interact. energy: -0.090 local terms energy: -62.836467 where: bonds (distance) C4'-P energy: -17.433 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -9.967 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: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -118.735667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.735667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.735667 (E_RNA) where: Base-Base interactions energy: -64.382 where: short stacking energy: -38.401 Base-Backbone interact. energy: -0.086 local terms energy: -54.267280 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -17.974 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -8.751 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: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -91.904432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.904432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.904432 (E_RNA) where: Base-Base interactions energy: -43.203 where: short stacking energy: -30.033 Base-Backbone interact. energy: -0.188 local terms energy: -48.513554 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -6.726 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: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -278.366108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.366108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.366108 (E_RNA) where: Base-Base interactions energy: -197.153 where: short stacking energy: -86.611 Base-Backbone interact. energy: -0.017 local terms energy: -81.195871 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -17.201 flat angles C4'-P-C4' energy: -17.536 flat angles P-C4'-P energy: -14.607 tors. eta vs tors. theta energy: -18.053 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: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -277.746960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.746960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.746960 (E_RNA) where: Base-Base interactions energy: -201.778 where: short stacking energy: -77.595 Base-Backbone interact. energy: -1.288 local terms energy: -74.681043 where: bonds (distance) C4'-P energy: -16.579 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -16.750 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: 3, replica: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -276.970811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.970811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.970811 (E_RNA) where: Base-Base interactions energy: -193.573 where: short stacking energy: -77.958 Base-Backbone interact. energy: 0.045 local terms energy: -83.442868 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -19.397 flat angles C4'-P-C4' energy: -20.087 flat angles P-C4'-P energy: -12.699 tors. eta vs tors. theta energy: -17.524 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: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -235.167859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.167859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.167859 (E_RNA) where: Base-Base interactions energy: -155.784 where: short stacking energy: -78.726 Base-Backbone interact. energy: -0.004 local terms energy: -79.379923 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -23.466 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: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -230.179300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.179300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.179300 (E_RNA) where: Base-Base interactions energy: -162.835 where: short stacking energy: -80.351 Base-Backbone interact. energy: -0.548 local terms energy: -66.797011 where: bonds (distance) C4'-P energy: -15.449 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -19.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -208.380785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.380785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.380785 (E_RNA) where: Base-Base interactions energy: -140.644 where: short stacking energy: -68.747 Base-Backbone interact. energy: -0.015 local terms energy: -67.721384 where: bonds (distance) C4'-P energy: -10.105 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -16.122 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -14.570 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: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -209.030464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.030464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.030464 (E_RNA) where: Base-Base interactions energy: -135.446 where: short stacking energy: -63.756 Base-Backbone interact. energy: -0.222 local terms energy: -73.362822 where: bonds (distance) C4'-P energy: -15.201 bonds (distance) P-C4' energy: -19.746 flat angles C4'-P-C4' energy: -17.547 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -12.284 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: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -115.126546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.126546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.126546 (E_RNA) where: Base-Base interactions energy: -55.225 where: short stacking energy: -37.844 Base-Backbone interact. energy: -1.089 local terms energy: -58.813122 where: bonds (distance) C4'-P energy: -16.969 bonds (distance) P-C4' energy: -15.804 flat angles C4'-P-C4' energy: -11.598 flat angles P-C4'-P energy: -13.679 tors. eta vs tors. theta energy: -0.764 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: 3 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -115.730081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.730081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.730081 (E_RNA) where: Base-Base interactions energy: -54.465 where: short stacking energy: -42.849 Base-Backbone interact. energy: 1.315 local terms energy: -62.580077 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -15.958 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -12.115 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: 10, replica: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -100.600529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.600529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.600529 (E_RNA) where: Base-Base interactions energy: -46.715 where: short stacking energy: -31.505 Base-Backbone interact. energy: -0.185 local terms energy: -53.700943 where: bonds (distance) C4'-P energy: -15.299 bonds (distance) P-C4' energy: -7.606 flat angles C4'-P-C4' energy: -17.254 flat angles P-C4'-P energy: -9.320 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: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -274.471363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.471363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.471363 (E_RNA) where: Base-Base interactions energy: -198.241 where: short stacking energy: -81.726 Base-Backbone interact. energy: -0.423 local terms energy: -75.807469 where: bonds (distance) C4'-P energy: -18.232 bonds (distance) P-C4' energy: -16.608 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -271.813618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.813618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.813618 (E_RNA) where: Base-Base interactions energy: -188.978 where: short stacking energy: -83.889 Base-Backbone interact. energy: -0.195 local terms energy: -82.640982 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -19.743 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -20.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -272.048648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.048648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.048648 (E_RNA) where: Base-Base interactions energy: -194.278 where: short stacking energy: -82.274 Base-Backbone interact. energy: 0.368 local terms energy: -78.138711 where: bonds (distance) C4'-P energy: -16.101 bonds (distance) P-C4' energy: -16.963 flat angles C4'-P-C4' energy: -17.604 flat angles P-C4'-P energy: -11.863 tors. eta vs tors. theta energy: -15.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -220.676869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.676869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.676869 (E_RNA) where: Base-Base interactions energy: -141.134 where: short stacking energy: -75.408 Base-Backbone interact. energy: -0.001 local terms energy: -79.541578 where: bonds (distance) C4'-P energy: -18.497 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -15.963 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -16.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -227.474743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.474743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.474743 (E_RNA) where: Base-Base interactions energy: -160.921 where: short stacking energy: -66.899 Base-Backbone interact. energy: -0.468 local terms energy: -66.085755 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -11.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -234.222116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.222116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.222116 (E_RNA) where: Base-Base interactions energy: -154.725 where: short stacking energy: -66.280 Base-Backbone interact. energy: 1.184 local terms energy: -80.680497 where: bonds (distance) C4'-P energy: -17.743 bonds (distance) P-C4' energy: -17.201 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -12.847 tors. eta vs tors. theta energy: -17.304 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: 7, replica: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -208.612652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.612652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.612652 (E_RNA) where: Base-Base interactions energy: -143.949 where: short stacking energy: -62.860 Base-Backbone interact. energy: -0.107 local terms energy: -64.556443 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -13.904 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: 8, replica: 9 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -112.307346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.307346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.307346 (E_RNA) where: Base-Base interactions energy: -49.286 where: short stacking energy: -40.292 Base-Backbone interact. energy: -0.125 local terms energy: -62.895711 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -17.487 flat angles P-C4'-P energy: -10.242 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: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -113.339582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.339582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.339582 (E_RNA) where: Base-Base interactions energy: -47.343 where: short stacking energy: -45.386 Base-Backbone interact. energy: -0.111 local terms energy: -65.885675 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -15.879 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -9.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -95.062202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.062202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.062202 (E_RNA) where: Base-Base interactions energy: -42.451 where: short stacking energy: -42.451 Base-Backbone interact. energy: -0.074 local terms energy: -52.536625 where: bonds (distance) C4'-P energy: -17.027 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -12.786 flat angles P-C4'-P energy: -8.971 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: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -272.940308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.940308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.940308 (E_RNA) where: Base-Base interactions energy: -198.723 where: short stacking energy: -72.009 Base-Backbone interact. energy: 1.265 local terms energy: -75.483200 where: bonds (distance) C4'-P energy: -17.898 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -14.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -277.935374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.935374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.935374 (E_RNA) where: Base-Base interactions energy: -198.286 where: short stacking energy: -80.448 Base-Backbone interact. energy: -0.141 local terms energy: -79.508176 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -17.899 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -20.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -263.851132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.851132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.851132 (E_RNA) where: Base-Base interactions energy: -181.201 where: short stacking energy: -81.860 Base-Backbone interact. energy: 0.402 local terms energy: -83.052361 where: bonds (distance) C4'-P energy: -19.519 bonds (distance) P-C4' energy: -19.485 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -20.984 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: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -228.714443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.714443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.714443 (E_RNA) where: Base-Base interactions energy: -148.233 where: short stacking energy: -81.363 Base-Backbone interact. energy: -0.004 local terms energy: -80.477037 where: bonds (distance) C4'-P energy: -17.387 bonds (distance) P-C4' energy: -17.621 flat angles C4'-P-C4' energy: -17.866 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -19.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -234.641147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.641147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.641147 (E_RNA) where: Base-Base interactions energy: -151.769 where: short stacking energy: -85.523 Base-Backbone interact. energy: -0.177 local terms energy: -82.695273 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -16.317 flat angles C4'-P-C4' energy: -18.940 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -21.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -214.524085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.524085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.524085 (E_RNA) where: Base-Base interactions energy: -148.405 where: short stacking energy: -70.309 Base-Backbone interact. energy: 0.084 local terms energy: -66.203131 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -9.020 flat angles P-C4'-P energy: -11.765 tors. eta vs tors. theta energy: -19.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -204.791081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.791081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.791081 (E_RNA) where: Base-Base interactions energy: -142.068 where: short stacking energy: -70.805 Base-Backbone interact. energy: 1.403 local terms energy: -64.125968 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -9.590 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -15.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -116.428741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.428741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.428741 (E_RNA) where: Base-Base interactions energy: -56.363 where: short stacking energy: -43.279 Base-Backbone interact. energy: -0.135 local terms energy: -59.930500 where: bonds (distance) C4'-P energy: -15.660 bonds (distance) P-C4' energy: -19.345 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -97.124117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.124117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.124117 (E_RNA) where: Base-Base interactions energy: -39.855 where: short stacking energy: -25.891 Base-Backbone interact. energy: -1.159 local terms energy: -56.109595 where: bonds (distance) C4'-P energy: -14.932 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: 1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -104.296357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.296357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.296357 (E_RNA) where: Base-Base interactions energy: -44.746 where: short stacking energy: -44.333 Base-Backbone interact. energy: -0.030 local terms energy: -59.520550 where: bonds (distance) C4'-P energy: -15.915 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -288.327922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.327922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.327922 (E_RNA) where: Base-Base interactions energy: -209.488 where: short stacking energy: -86.215 Base-Backbone interact. energy: -0.383 local terms energy: -78.456561 where: bonds (distance) C4'-P energy: -16.666 bonds (distance) P-C4' energy: -18.452 flat angles C4'-P-C4' energy: -17.728 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -19.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -268.733973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.733973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.733973 (E_RNA) where: Base-Base interactions energy: -194.554 where: short stacking energy: -79.034 Base-Backbone interact. energy: -0.167 local terms energy: -74.012208 where: bonds (distance) C4'-P energy: -15.874 bonds (distance) P-C4' energy: -14.909 flat angles C4'-P-C4' energy: -18.049 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -15.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -268.001124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.001124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.001124 (E_RNA) where: Base-Base interactions energy: -188.387 where: short stacking energy: -89.300 Base-Backbone interact. energy: 0.893 local terms energy: -80.506501 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -20.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -241.273980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.273980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.273980 (E_RNA) where: Base-Base interactions energy: -163.490 where: short stacking energy: -79.600 Base-Backbone interact. energy: 0.187 local terms energy: -77.971367 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -19.996 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -10.752 tors. eta vs tors. theta energy: -18.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -221.399951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.399951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.399951 (E_RNA) where: Base-Base interactions energy: -152.118 where: short stacking energy: -84.721 Base-Backbone interact. energy: -0.238 local terms energy: -69.043651 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -214.811102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.811102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.811102 (E_RNA) where: Base-Base interactions energy: -138.184 where: short stacking energy: -76.667 Base-Backbone interact. energy: -0.489 local terms energy: -76.137712 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -15.623 flat angles C4'-P-C4' energy: -16.848 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -19.323 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: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -219.421735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.421735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.421735 (E_RNA) where: Base-Base interactions energy: -148.356 where: short stacking energy: -76.317 Base-Backbone interact. energy: 2.090 local terms energy: -73.156216 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -19.342 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -18.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -117.380508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.380508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.380508 (E_RNA) where: Base-Base interactions energy: -57.782 where: short stacking energy: -57.782 Base-Backbone interact. energy: -0.047 local terms energy: -59.552036 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -9.288 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -9.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -98.818983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.818983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.818983 (E_RNA) where: Base-Base interactions energy: -38.649 where: short stacking energy: -35.726 Base-Backbone interact. energy: -0.202 local terms energy: -59.968634 where: bonds (distance) C4'-P energy: -16.816 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -15.488 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -99.790252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.790252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.790252 (E_RNA) where: Base-Base interactions energy: -41.269 where: short stacking energy: -36.556 Base-Backbone interact. energy: -0.096 local terms energy: -58.424791 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -6.438 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: 1, replica: 6 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -288.693228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.693228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.693228 (E_RNA) where: Base-Base interactions energy: -206.097 where: short stacking energy: -87.891 Base-Backbone interact. energy: -0.099 local terms energy: -82.496860 where: bonds (distance) C4'-P energy: -17.354 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -18.195 flat angles P-C4'-P energy: -12.565 tors. eta vs tors. theta energy: -18.955 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: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -279.237544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.237544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.237544 (E_RNA) where: Base-Base interactions energy: -205.770 where: short stacking energy: -81.699 Base-Backbone interact. energy: -0.944 local terms energy: -72.523491 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -12.174 flat angles C4'-P-C4' energy: -18.044 flat angles P-C4'-P energy: -12.440 tors. eta vs tors. theta energy: -17.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -262.224287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.224287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.224287 (E_RNA) where: Base-Base interactions energy: -183.451 where: short stacking energy: -84.733 Base-Backbone interact. energy: -0.371 local terms energy: -78.402973 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -19.203 flat angles C4'-P-C4' energy: -18.420 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -19.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -220.530060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.530060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.530060 (E_RNA) where: Base-Base interactions energy: -147.363 where: short stacking energy: -76.421 Base-Backbone interact. energy: -0.016 local terms energy: -73.151411 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -17.533 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: 5, replica: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -217.157732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.157732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.157732 (E_RNA) where: Base-Base interactions energy: -144.495 where: short stacking energy: -74.516 Base-Backbone interact. energy: -0.003 local terms energy: -72.659635 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -16.959 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -16.364 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: 10 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -232.492569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.492569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.492569 (E_RNA) where: Base-Base interactions energy: -157.469 where: short stacking energy: -69.009 Base-Backbone interact. energy: -0.045 local terms energy: -74.978571 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -17.691 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -200.683393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.683393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.683393 (E_RNA) where: Base-Base interactions energy: -129.102 where: short stacking energy: -68.546 Base-Backbone interact. energy: -0.137 local terms energy: -71.443689 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -15.472 flat angles C4'-P-C4' energy: -16.048 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -117.396027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.396027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.396027 (E_RNA) where: Base-Base interactions energy: -69.525 where: short stacking energy: -27.632 Base-Backbone interact. energy: -0.462 local terms energy: -47.408686 where: bonds (distance) C4'-P energy: -18.095 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: 7.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -98.913748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.913748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.913748 (E_RNA) where: Base-Base interactions energy: -45.053 where: short stacking energy: -34.654 Base-Backbone interact. energy: -0.087 local terms energy: -53.773430 where: bonds (distance) C4'-P energy: -18.090 bonds (distance) P-C4' energy: -18.632 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -87.348994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.348994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.348994 (E_RNA) where: Base-Base interactions energy: -37.778 where: short stacking energy: -21.720 Base-Backbone interact. energy: 0.717 local terms energy: -50.288283 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -6.781 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -12.725 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: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -280.113523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.113523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.113523 (E_RNA) where: Base-Base interactions energy: -201.958 where: short stacking energy: -78.384 Base-Backbone interact. energy: -0.354 local terms energy: -77.801826 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -17.829 flat angles C4'-P-C4' energy: -15.504 flat angles P-C4'-P energy: -15.782 tors. eta vs tors. theta energy: -16.177 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: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -280.767432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.767432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.767432 (E_RNA) where: Base-Base interactions energy: -201.946 where: short stacking energy: -86.604 Base-Backbone interact. energy: -0.726 local terms energy: -78.095592 where: bonds (distance) C4'-P energy: -11.828 bonds (distance) P-C4' energy: -19.538 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -12.218 tors. eta vs tors. theta energy: -18.049 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: 8 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -267.069299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.069299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.069299 (E_RNA) where: Base-Base interactions energy: -184.597 where: short stacking energy: -85.589 Base-Backbone interact. energy: -0.875 local terms energy: -81.597228 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -18.059 flat angles P-C4'-P energy: -11.354 tors. eta vs tors. theta energy: -19.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -236.062227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.062227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.062227 (E_RNA) where: Base-Base interactions energy: -157.122 where: short stacking energy: -79.838 Base-Backbone interact. energy: -0.414 local terms energy: -78.525846 where: bonds (distance) C4'-P energy: -18.787 bonds (distance) P-C4' energy: -13.573 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -14.133 tors. eta vs tors. theta energy: -15.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -225.652614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.652614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.652614 (E_RNA) where: Base-Base interactions energy: -158.203 where: short stacking energy: -79.260 Base-Backbone interact. energy: -0.095 local terms energy: -67.354660 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -15.832 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -16.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -214.061368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.061368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.061368 (E_RNA) where: Base-Base interactions energy: -139.574 where: short stacking energy: -62.776 Base-Backbone interact. energy: -0.001 local terms energy: -74.486426 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -19.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -193.126847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.126847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.126847 (E_RNA) where: Base-Base interactions energy: -122.145 where: short stacking energy: -67.160 Base-Backbone interact. energy: -0.877 local terms energy: -70.104929 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -15.195 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -16.908 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: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -98.240301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.240301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.240301 (E_RNA) where: Base-Base interactions energy: -46.687 where: short stacking energy: -28.340 Base-Backbone interact. energy: -0.520 local terms energy: -51.033532 where: bonds (distance) C4'-P energy: -18.025 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -8.650 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -138.888974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.888974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.888974 (E_RNA) where: Base-Base interactions energy: -88.459 where: short stacking energy: -46.580 Base-Backbone interact. energy: -0.190 local terms energy: -50.239495 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -87.299575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.299575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.299575 (E_RNA) where: Base-Base interactions energy: -41.794 where: short stacking energy: -36.045 Base-Backbone interact. energy: -0.422 local terms energy: -45.083864 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -10.337 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -278.628174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.628174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.628174 (E_RNA) where: Base-Base interactions energy: -201.151 where: short stacking energy: -81.129 Base-Backbone interact. energy: -0.665 local terms energy: -76.811745 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -18.934 flat angles C4'-P-C4' energy: -17.598 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -13.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -277.475053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.475053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.475053 (E_RNA) where: Base-Base interactions energy: -198.942 where: short stacking energy: -88.353 Base-Backbone interact. energy: 0.266 local terms energy: -78.798620 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -15.546 flat angles C4'-P-C4' energy: -16.720 flat angles P-C4'-P energy: -14.090 tors. eta vs tors. theta energy: -18.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -280.449744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.449744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.449744 (E_RNA) where: Base-Base interactions energy: -198.899 where: short stacking energy: -86.798 Base-Backbone interact. energy: -1.226 local terms energy: -80.324159 where: bonds (distance) C4'-P energy: -18.668 bonds (distance) P-C4' energy: -15.071 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -11.553 tors. eta vs tors. theta energy: -20.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -227.294110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.294110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.294110 (E_RNA) where: Base-Base interactions energy: -143.656 where: short stacking energy: -76.853 Base-Backbone interact. energy: -0.102 local terms energy: -83.535630 where: bonds (distance) C4'-P energy: -15.843 bonds (distance) P-C4' energy: -19.470 flat angles C4'-P-C4' energy: -16.958 flat angles P-C4'-P energy: -12.597 tors. eta vs tors. theta energy: -18.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -236.043879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.043879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.043879 (E_RNA) where: Base-Base interactions energy: -157.500 where: short stacking energy: -78.197 Base-Backbone interact. energy: -0.098 local terms energy: -78.446131 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -16.883 flat angles P-C4'-P energy: -14.167 tors. eta vs tors. theta energy: -19.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -204.813675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.813675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.813675 (E_RNA) where: Base-Base interactions energy: -136.725 where: short stacking energy: -65.032 Base-Backbone interact. energy: -0.747 local terms energy: -67.342068 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -15.904 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: 10 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -214.326744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.326744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.326744 (E_RNA) where: Base-Base interactions energy: -145.382 where: short stacking energy: -71.346 Base-Backbone interact. energy: -0.001 local terms energy: -68.943474 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -16.449 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: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -151.454692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.454692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.454692 (E_RNA) where: Base-Base interactions energy: -84.018 where: short stacking energy: -51.898 Base-Backbone interact. energy: -0.670 local terms energy: -66.767225 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -18.114 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -12.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -92.747740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.747740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.747740 (E_RNA) where: Base-Base interactions energy: -42.169 where: short stacking energy: -26.991 Base-Backbone interact. energy: -0.064 local terms energy: -50.514811 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: 2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -98.238957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.238957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.238957 (E_RNA) where: Base-Base interactions energy: -45.114 where: short stacking energy: -45.114 Base-Backbone interact. energy: -0.007 local terms energy: -53.118013 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -17.253 flat angles P-C4'-P energy: -5.222 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: 1, replica: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -278.503253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.503253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.503253 (E_RNA) where: Base-Base interactions energy: -203.008 where: short stacking energy: -89.884 Base-Backbone interact. energy: 1.271 local terms energy: -76.765941 where: bonds (distance) C4'-P energy: -15.781 bonds (distance) P-C4' energy: -16.349 flat angles C4'-P-C4' energy: -16.726 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -19.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -282.813810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.813810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.813810 (E_RNA) where: Base-Base interactions energy: -203.615 where: short stacking energy: -74.827 Base-Backbone interact. energy: -0.154 local terms energy: -79.045016 where: bonds (distance) C4'-P energy: -17.361 bonds (distance) P-C4' energy: -18.812 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -12.619 tors. eta vs tors. theta energy: -14.746 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: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -280.308563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.308563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.308563 (E_RNA) where: Base-Base interactions energy: -194.223 where: short stacking energy: -80.208 Base-Backbone interact. energy: -0.589 local terms energy: -85.496042 where: bonds (distance) C4'-P energy: -16.829 bonds (distance) P-C4' energy: -19.033 flat angles C4'-P-C4' energy: -17.402 flat angles P-C4'-P energy: -12.838 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -227.481987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.481987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.481987 (E_RNA) where: Base-Base interactions energy: -145.721 where: short stacking energy: -86.267 Base-Backbone interact. energy: -0.051 local terms energy: -81.710687 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -15.281 flat angles C4'-P-C4' energy: -17.797 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -21.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -225.198553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.198553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.198553 (E_RNA) where: Base-Base interactions energy: -160.106 where: short stacking energy: -83.873 Base-Backbone interact. energy: -0.076 local terms energy: -65.016652 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -11.720 tors. eta vs tors. theta energy: -17.747 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: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -233.406231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.406231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.406231 (E_RNA) where: Base-Base interactions energy: -162.608 where: short stacking energy: -71.457 Base-Backbone interact. energy: -0.724 local terms energy: -70.075195 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -19.412 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: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -153.016916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.016916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.016916 (E_RNA) where: Base-Base interactions energy: -100.316 where: short stacking energy: -43.624 Base-Backbone interact. energy: 0.172 local terms energy: -52.872831 where: bonds (distance) C4'-P energy: -16.675 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -204.405163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.405163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.405163 (E_RNA) where: Base-Base interactions energy: -139.504 where: short stacking energy: -69.724 Base-Backbone interact. energy: -0.012 local terms energy: -64.889210 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -13.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -106.375647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.375647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.375647 (E_RNA) where: Base-Base interactions energy: -51.862 where: short stacking energy: -46.805 Base-Backbone interact. energy: -0.061 local terms energy: -54.452164 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -14.450 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -3.538 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: 10, replica: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -85.692684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.692684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.692684 (E_RNA) where: Base-Base interactions energy: -42.143 where: short stacking energy: -34.231 Base-Backbone interact. energy: 0.317 local terms energy: -43.866884 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -269.871112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.871112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.871112 (E_RNA) where: Base-Base interactions energy: -189.113 where: short stacking energy: -82.134 Base-Backbone interact. energy: -0.311 local terms energy: -80.447054 where: bonds (distance) C4'-P energy: -18.505 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -10.747 tors. eta vs tors. theta energy: -21.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -273.613315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.613315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.613315 (E_RNA) where: Base-Base interactions energy: -194.047 where: short stacking energy: -71.917 Base-Backbone interact. energy: -0.175 local terms energy: -79.391893 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -17.877 flat angles P-C4'-P energy: -12.986 tors. eta vs tors. theta energy: -14.953 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: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -275.973463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.973463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.973463 (E_RNA) where: Base-Base interactions energy: -203.038 where: short stacking energy: -75.175 Base-Backbone interact. energy: -0.363 local terms energy: -72.572264 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -18.894 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -13.393 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: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -239.636859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.636859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.636859 (E_RNA) where: Base-Base interactions energy: -152.313 where: short stacking energy: -78.909 Base-Backbone interact. energy: -0.012 local terms energy: -87.311802 where: bonds (distance) C4'-P energy: -17.392 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -18.470 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -23.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -222.959183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.959183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.959183 (E_RNA) where: Base-Base interactions energy: -150.042 where: short stacking energy: -74.187 Base-Backbone interact. energy: -0.058 local terms energy: -72.858527 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -16.142 flat angles P-C4'-P energy: -7.471 tors. eta vs tors. theta energy: -21.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -229.028443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.028443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.028443 (E_RNA) where: Base-Base interactions energy: -158.772 where: short stacking energy: -66.721 Base-Backbone interact. energy: -0.789 local terms energy: -69.467435 where: bonds (distance) C4'-P energy: -8.240 bonds (distance) P-C4' energy: -19.200 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -16.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -160.379946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.379946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.379946 (E_RNA) where: Base-Base interactions energy: -89.636 where: short stacking energy: -56.952 Base-Backbone interact. energy: -0.015 local terms energy: -70.729758 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -15.941 flat angles C4'-P-C4' energy: -19.078 flat angles P-C4'-P energy: -13.156 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: 8, replica: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -215.262433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.262433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.262433 (E_RNA) where: Base-Base interactions energy: -137.166 where: short stacking energy: -65.589 Base-Backbone interact. energy: -0.095 local terms energy: -78.001846 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -12.297 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -110.825478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.825478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.825478 (E_RNA) where: Base-Base interactions energy: -47.640 where: short stacking energy: -37.960 Base-Backbone interact. energy: -0.424 local terms energy: -62.762233 where: bonds (distance) C4'-P energy: -16.373 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -95.573789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.573789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.573789 (E_RNA) where: Base-Base interactions energy: -40.897 where: short stacking energy: -40.897 Base-Backbone interact. energy: 1.434 local terms energy: -56.110380 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -283.232458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.232458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.232458 (E_RNA) where: Base-Base interactions energy: -208.780 where: short stacking energy: -81.288 Base-Backbone interact. energy: -0.184 local terms energy: -74.268267 where: bonds (distance) C4'-P energy: -16.220 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -18.079 flat angles P-C4'-P energy: -13.284 tors. eta vs tors. theta energy: -14.768 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: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -269.226559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.226559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.226559 (E_RNA) where: Base-Base interactions energy: -190.270 where: short stacking energy: -84.405 Base-Backbone interact. energy: -0.400 local terms energy: -78.556382 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -17.503 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -13.244 tors. eta vs tors. theta energy: -14.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -272.015580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.015580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.015580 (E_RNA) where: Base-Base interactions energy: -199.426 where: short stacking energy: -83.422 Base-Backbone interact. energy: 0.429 local terms energy: -73.018307 where: bonds (distance) C4'-P energy: -9.448 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -15.889 tors. eta vs tors. theta energy: -18.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -231.593925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.593925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.593925 (E_RNA) where: Base-Base interactions energy: -146.446 where: short stacking energy: -82.689 Base-Backbone interact. energy: -0.478 local terms energy: -84.669964 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -16.346 flat angles P-C4'-P energy: -13.240 tors. eta vs tors. theta energy: -21.316 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: 34 Temperature: 1.100000 Total energy: -234.078388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.078388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.078388 (E_RNA) where: Base-Base interactions energy: -157.129 where: short stacking energy: -74.452 Base-Backbone interact. energy: -0.018 local terms energy: -76.931477 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -18.049 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -14.452 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -209.198718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.198718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.198718 (E_RNA) where: Base-Base interactions energy: -140.169 where: short stacking energy: -64.368 Base-Backbone interact. energy: -0.050 local terms energy: -68.978745 where: bonds (distance) C4'-P energy: -13.963 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -18.482 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: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -217.509540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.509540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.509540 (E_RNA) where: Base-Base interactions energy: -149.619 where: short stacking energy: -72.257 Base-Backbone interact. energy: -0.005 local terms energy: -67.886384 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -14.806 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -22.381 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: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -154.894790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.894790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.894790 (E_RNA) where: Base-Base interactions energy: -102.049 where: short stacking energy: -60.541 Base-Backbone interact. energy: -0.624 local terms energy: -52.221968 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -10.810 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -10.939 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: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -103.312300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.312300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.312300 (E_RNA) where: Base-Base interactions energy: -45.644 where: short stacking energy: -45.644 Base-Backbone interact. energy: 0.013 local terms energy: -57.681316 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -11.298 flat angles C4'-P-C4' energy: -17.332 flat angles P-C4'-P energy: -10.240 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: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -98.684166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.684166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.684166 (E_RNA) where: Base-Base interactions energy: -52.201 where: short stacking energy: -34.426 Base-Backbone interact. energy: -0.042 local terms energy: -46.441415 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -12.537 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -7.379 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: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -279.139886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.139886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.139886 (E_RNA) where: Base-Base interactions energy: -200.453 where: short stacking energy: -77.618 Base-Backbone interact. energy: -0.239 local terms energy: -78.447716 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -18.932 flat angles P-C4'-P energy: -14.150 tors. eta vs tors. theta energy: -16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -279.151525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.151525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.151525 (E_RNA) where: Base-Base interactions energy: -190.862 where: short stacking energy: -77.523 Base-Backbone interact. energy: -0.050 local terms energy: -88.239052 where: bonds (distance) C4'-P energy: -16.656 bonds (distance) P-C4' energy: -18.880 flat angles C4'-P-C4' energy: -19.995 flat angles P-C4'-P energy: -12.021 tors. eta vs tors. theta energy: -20.688 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: 3, replica: 8 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -273.275006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.275006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.275006 (E_RNA) where: Base-Base interactions energy: -196.040 where: short stacking energy: -87.210 Base-Backbone interact. energy: 0.598 local terms energy: -77.833390 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -17.702 flat angles C4'-P-C4' energy: -18.168 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -19.942 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: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -230.271243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.271243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.271243 (E_RNA) where: Base-Base interactions energy: -153.219 where: short stacking energy: -68.506 Base-Backbone interact. energy: -0.305 local terms energy: -76.747418 where: bonds (distance) C4'-P energy: -15.444 bonds (distance) P-C4' energy: -18.484 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -15.042 tors. eta vs tors. theta energy: -13.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -221.048223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.048223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.048223 (E_RNA) where: Base-Base interactions energy: -144.907 where: short stacking energy: -76.814 Base-Backbone interact. energy: -1.134 local terms energy: -75.007678 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -19.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -211.735886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.735886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.735886 (E_RNA) where: Base-Base interactions energy: -147.884 where: short stacking energy: -73.007 Base-Backbone interact. energy: -0.113 local terms energy: -63.738966 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -16.914 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: 4 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -199.228226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.228226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.228226 (E_RNA) where: Base-Base interactions energy: -138.472 where: short stacking energy: -56.081 Base-Backbone interact. energy: -0.489 local terms energy: -60.267257 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -6.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -119.133509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.133509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.133509 (E_RNA) where: Base-Base interactions energy: -60.965 where: short stacking energy: -36.342 Base-Backbone interact. energy: -0.158 local terms energy: -58.009991 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -120.389045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.389045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.389045 (E_RNA) where: Base-Base interactions energy: -66.573 where: short stacking energy: -40.447 Base-Backbone interact. energy: 1.454 local terms energy: -55.270161 where: bonds (distance) C4'-P energy: -16.646 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -114.260206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.260206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.260206 (E_RNA) where: Base-Base interactions energy: -69.283 where: short stacking energy: -46.080 Base-Backbone interact. energy: -0.056 local terms energy: -44.921156 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -9.421 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -277.177268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.177268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.177268 (E_RNA) where: Base-Base interactions energy: -199.876 where: short stacking energy: -79.590 Base-Backbone interact. energy: -0.993 local terms energy: -76.309081 where: bonds (distance) C4'-P energy: -18.686 bonds (distance) P-C4' energy: -17.003 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -282.292443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.292443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.292443 (E_RNA) where: Base-Base interactions energy: -202.859 where: short stacking energy: -86.517 Base-Backbone interact. energy: -1.252 local terms energy: -78.181883 where: bonds (distance) C4'-P energy: -18.045 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -18.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -264.569813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.569813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.569813 (E_RNA) where: Base-Base interactions energy: -189.647 where: short stacking energy: -84.275 Base-Backbone interact. energy: -0.390 local terms energy: -74.532751 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -12.191 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -11.741 tors. eta vs tors. theta energy: -21.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -226.410785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.410785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.410785 (E_RNA) where: Base-Base interactions energy: -158.201 where: short stacking energy: -70.862 Base-Backbone interact. energy: -0.314 local terms energy: -67.895984 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -17.185 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -13.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -221.019513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.019513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.019513 (E_RNA) where: Base-Base interactions energy: -139.328 where: short stacking energy: -68.495 Base-Backbone interact. energy: -0.367 local terms energy: -81.324587 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -18.397 flat angles C4'-P-C4' energy: -17.357 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -20.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -216.278215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.278215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.278215 (E_RNA) where: Base-Base interactions energy: -139.232 where: short stacking energy: -69.265 Base-Backbone interact. energy: -0.141 local terms energy: -76.905190 where: bonds (distance) C4'-P energy: -15.039 bonds (distance) P-C4' energy: -16.732 flat angles C4'-P-C4' energy: -16.541 flat angles P-C4'-P energy: -12.574 tors. eta vs tors. theta energy: -16.020 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: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -226.158202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.158202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.158202 (E_RNA) where: Base-Base interactions energy: -154.962 where: short stacking energy: -62.708 Base-Backbone interact. energy: -0.101 local terms energy: -71.095391 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -129.942917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.942917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.942917 (E_RNA) where: Base-Base interactions energy: -83.112 where: short stacking energy: -40.481 Base-Backbone interact. energy: -0.479 local terms energy: -46.352064 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -18.594 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -110.107412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.107412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.107412 (E_RNA) where: Base-Base interactions energy: -53.585 where: short stacking energy: -50.475 Base-Backbone interact. energy: -0.056 local terms energy: -56.466411 where: bonds (distance) C4'-P energy: -11.786 bonds (distance) P-C4' energy: -19.274 flat angles C4'-P-C4' energy: -16.341 flat angles P-C4'-P energy: -5.434 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: 10, replica: 9 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -102.839975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.839975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.839975 (E_RNA) where: Base-Base interactions energy: -46.422 where: short stacking energy: -28.520 Base-Backbone interact. energy: 0.094 local terms energy: -56.512010 where: bonds (distance) C4'-P energy: -20.032 bonds (distance) P-C4' energy: -17.900 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -12.157 tors. eta vs tors. theta energy: 2.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -271.233910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.233910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.233910 (E_RNA) where: Base-Base interactions energy: -190.448 where: short stacking energy: -73.052 Base-Backbone interact. energy: -0.185 local terms energy: -80.600354 where: bonds (distance) C4'-P energy: -18.245 bonds (distance) P-C4' energy: -19.470 flat angles C4'-P-C4' energy: -18.669 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -15.079 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: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -281.875084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.875084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.875084 (E_RNA) where: Base-Base interactions energy: -197.367 where: short stacking energy: -88.155 Base-Backbone interact. energy: -0.481 local terms energy: -84.027440 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -17.201 flat angles P-C4'-P energy: -13.386 tors. eta vs tors. theta energy: -20.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -261.434877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.434877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.434877 (E_RNA) where: Base-Base interactions energy: -179.750 where: short stacking energy: -77.883 Base-Backbone interact. energy: -0.973 local terms energy: -80.711982 where: bonds (distance) C4'-P energy: -16.998 bonds (distance) P-C4' energy: -14.045 flat angles C4'-P-C4' energy: -18.189 flat angles P-C4'-P energy: -11.658 tors. eta vs tors. theta energy: -19.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -232.467147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.467147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.467147 (E_RNA) where: Base-Base interactions energy: -153.077 where: short stacking energy: -88.123 Base-Backbone interact. energy: -0.300 local terms energy: -79.090466 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -15.176 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -23.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -231.867955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.867955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.867955 (E_RNA) where: Base-Base interactions energy: -153.222 where: short stacking energy: -78.323 Base-Backbone interact. energy: 0.410 local terms energy: -79.056209 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -14.204 flat angles C4'-P-C4' energy: -19.725 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -19.412 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: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -216.992377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.992377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.992377 (E_RNA) where: Base-Base interactions energy: -152.366 where: short stacking energy: -72.638 Base-Backbone interact. energy: -0.345 local terms energy: -64.281758 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -11.388 flat angles C4'-P-C4' energy: -16.446 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -219.956879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.956879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.956879 (E_RNA) where: Base-Base interactions energy: -148.397 where: short stacking energy: -76.567 Base-Backbone interact. energy: -0.033 local terms energy: -71.527290 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -198.619701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.619701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.619701 (E_RNA) where: Base-Base interactions energy: -133.206 where: short stacking energy: -67.679 Base-Backbone interact. energy: -0.386 local terms energy: -65.028124 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -16.945 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: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -155.837152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.837152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.837152 (E_RNA) where: Base-Base interactions energy: -90.177 where: short stacking energy: -56.621 Base-Backbone interact. energy: -0.139 local terms energy: -65.521386 where: bonds (distance) C4'-P energy: -14.138 bonds (distance) P-C4' energy: -18.073 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -12.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -100.492752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.492752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.492752 (E_RNA) where: Base-Base interactions energy: -39.960 where: short stacking energy: -39.960 Base-Backbone interact. energy: -0.139 local terms energy: -60.393666 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -8.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -285.236013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.236013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.236013 (E_RNA) where: Base-Base interactions energy: -199.736 where: short stacking energy: -83.186 Base-Backbone interact. energy: -0.807 local terms energy: -84.693498 where: bonds (distance) C4'-P energy: -17.537 bonds (distance) P-C4' energy: -17.234 flat angles C4'-P-C4' energy: -18.082 flat angles P-C4'-P energy: -14.003 tors. eta vs tors. theta energy: -17.837 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: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -273.701180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.701180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.701180 (E_RNA) where: Base-Base interactions energy: -203.649 where: short stacking energy: -78.743 Base-Backbone interact. energy: 0.081 local terms energy: -70.133254 where: bonds (distance) C4'-P energy: -19.130 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -9.145 tors. eta vs tors. theta energy: -15.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -271.292218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.292218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.292218 (E_RNA) where: Base-Base interactions energy: -195.098 where: short stacking energy: -81.381 Base-Backbone interact. energy: -0.377 local terms energy: -75.816678 where: bonds (distance) C4'-P energy: -15.649 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -18.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -234.866299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.866299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.866299 (E_RNA) where: Base-Base interactions energy: -158.675 where: short stacking energy: -83.168 Base-Backbone interact. energy: -0.171 local terms energy: -76.020200 where: bonds (distance) C4'-P energy: -16.564 bonds (distance) P-C4' energy: -9.568 flat angles C4'-P-C4' energy: -17.642 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -226.352270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.352270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.352270 (E_RNA) where: Base-Base interactions energy: -154.406 where: short stacking energy: -75.142 Base-Backbone interact. energy: -0.229 local terms energy: -71.716926 where: bonds (distance) C4'-P energy: -17.963 bonds (distance) P-C4' energy: -12.823 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -12.973 tors. eta vs tors. theta energy: -15.244 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: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -214.023688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.023688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.023688 (E_RNA) where: Base-Base interactions energy: -137.089 where: short stacking energy: -70.194 Base-Backbone interact. energy: -0.001 local terms energy: -76.933748 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -18.237 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -18.066 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: 38 Temperature: 1.200000 Total energy: -211.929966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.929966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.929966 (E_RNA) where: Base-Base interactions energy: -141.467 where: short stacking energy: -73.766 Base-Backbone interact. energy: -0.031 local terms energy: -70.432273 where: bonds (distance) C4'-P energy: -16.121 bonds (distance) P-C4' energy: -12.029 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -16.090 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: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -202.043356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.043356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.043356 (E_RNA) where: Base-Base interactions energy: -134.479 where: short stacking energy: -61.118 Base-Backbone interact. energy: 3.609 local terms energy: -71.172602 where: bonds (distance) C4'-P energy: -16.446 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -12.226 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: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -120.210118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.210118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.210118 (E_RNA) where: Base-Base interactions energy: -60.090 where: short stacking energy: -55.780 Base-Backbone interact. energy: -0.138 local terms energy: -59.982446 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -17.320 flat angles C4'-P-C4' energy: -15.060 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -13.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -109.398212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.398212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.398212 (E_RNA) where: Base-Base interactions energy: -47.389 where: short stacking energy: -41.720 Base-Backbone interact. energy: 1.365 local terms energy: -63.374617 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -10.377 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: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -282.217009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.217009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.217009 (E_RNA) where: Base-Base interactions energy: -200.266 where: short stacking energy: -82.831 Base-Backbone interact. energy: -0.980 local terms energy: -80.970938 where: bonds (distance) C4'-P energy: -15.641 bonds (distance) P-C4' energy: -15.263 flat angles C4'-P-C4' energy: -17.683 flat angles P-C4'-P energy: -13.532 tors. eta vs tors. theta energy: -18.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -277.489266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.489266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.489266 (E_RNA) where: Base-Base interactions energy: -204.492 where: short stacking energy: -76.965 Base-Backbone interact. energy: -0.281 local terms energy: -72.716476 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -17.545 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -14.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -264.287310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.287310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.287310 (E_RNA) where: Base-Base interactions energy: -178.329 where: short stacking energy: -80.074 Base-Backbone interact. energy: -0.759 local terms energy: -85.198951 where: bonds (distance) C4'-P energy: -17.147 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -19.330 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -18.641 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: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -234.123756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.123756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.123756 (E_RNA) where: Base-Base interactions energy: -162.844 where: short stacking energy: -74.532 Base-Backbone interact. energy: -0.328 local terms energy: -70.951041 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -233.356925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.356925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.356925 (E_RNA) where: Base-Base interactions energy: -161.908 where: short stacking energy: -78.758 Base-Backbone interact. energy: -0.005 local terms energy: -71.443848 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -19.023 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: -17.423 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: 6, replica: 3 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -203.116756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.116756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.116756 (E_RNA) where: Base-Base interactions energy: -134.535 where: short stacking energy: -64.113 Base-Backbone interact. energy: -0.515 local terms energy: -68.067249 where: bonds (distance) C4'-P energy: -17.804 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -12.984 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: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -213.955170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.955170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.955170 (E_RNA) where: Base-Base interactions energy: -141.828 where: short stacking energy: -51.760 Base-Backbone interact. energy: -0.218 local terms energy: -71.909918 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -17.337 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: -10.430 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: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -206.593245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.593245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.593245 (E_RNA) where: Base-Base interactions energy: -134.349 where: short stacking energy: -59.198 Base-Backbone interact. energy: -0.793 local terms energy: -71.451117 where: bonds (distance) C4'-P energy: -16.675 bonds (distance) P-C4' energy: -17.998 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -12.054 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -144.410794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.410794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.410794 (E_RNA) where: Base-Base interactions energy: -80.867 where: short stacking energy: -47.611 Base-Backbone interact. energy: -2.613 local terms energy: -60.931041 where: bonds (distance) C4'-P energy: -14.584 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -10.256 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: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -115.800457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.800457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.800457 (E_RNA) where: Base-Base interactions energy: -56.786 where: short stacking energy: -37.467 Base-Backbone interact. energy: -0.401 local terms energy: -58.614090 where: bonds (distance) C4'-P energy: -15.991 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -290.766511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.766511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.766511 (E_RNA) where: Base-Base interactions energy: -208.573 where: short stacking energy: -85.573 Base-Backbone interact. energy: -0.594 local terms energy: -81.599844 where: bonds (distance) C4'-P energy: -15.773 bonds (distance) P-C4' energy: -17.805 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -10.992 tors. eta vs tors. theta energy: -21.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -279.662278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.662278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.662278 (E_RNA) where: Base-Base interactions energy: -201.613 where: short stacking energy: -79.826 Base-Backbone interact. energy: -0.289 local terms energy: -77.759607 where: bonds (distance) C4'-P energy: -15.884 bonds (distance) P-C4' energy: -16.286 flat angles C4'-P-C4' energy: -16.542 flat angles P-C4'-P energy: -12.781 tors. eta vs tors. theta energy: -16.267 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: 40 Temperature: 1.000000 Total energy: -264.899780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.899780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.899780 (E_RNA) where: Base-Base interactions energy: -187.565 where: short stacking energy: -86.573 Base-Backbone interact. energy: -1.274 local terms energy: -76.060014 where: bonds (distance) C4'-P energy: -17.416 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -15.327 tors. eta vs tors. theta energy: -19.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -232.774281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.774281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.774281 (E_RNA) where: Base-Base interactions energy: -159.058 where: short stacking energy: -81.394 Base-Backbone interact. energy: -0.001 local terms energy: -73.714480 where: bonds (distance) C4'-P energy: -13.567 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -8.943 tors. eta vs tors. theta energy: -21.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -221.979182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.979182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.979182 (E_RNA) where: Base-Base interactions energy: -146.431 where: short stacking energy: -74.747 Base-Backbone interact. energy: -0.179 local terms energy: -75.368728 where: bonds (distance) C4'-P energy: -17.072 bonds (distance) P-C4' energy: -17.463 flat angles C4'-P-C4' energy: -16.153 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -16.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -227.320586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.320586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.320586 (E_RNA) where: Base-Base interactions energy: -160.338 where: short stacking energy: -87.756 Base-Backbone interact. energy: 2.134 local terms energy: -69.117185 where: bonds (distance) C4'-P energy: -9.054 bonds (distance) P-C4' energy: -20.001 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -17.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -245.892263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.892263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.892263 (E_RNA) where: Base-Base interactions energy: -178.443 where: short stacking energy: -68.429 Base-Backbone interact. energy: -0.455 local terms energy: -66.993692 where: bonds (distance) C4'-P energy: -16.746 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -17.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -196.197411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.197411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.197411 (E_RNA) where: Base-Base interactions energy: -127.716 where: short stacking energy: -60.894 Base-Backbone interact. energy: -0.040 local terms energy: -68.442039 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -16.448 flat angles C4'-P-C4' energy: -17.226 flat angles P-C4'-P energy: -8.715 tors. eta vs tors. theta energy: -11.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -136.951061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.951061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.951061 (E_RNA) where: Base-Base interactions energy: -74.609 where: short stacking energy: -30.352 Base-Backbone interact. energy: -1.858 local terms energy: -60.484701 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -8.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -105.037584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.037584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.037584 (E_RNA) where: Base-Base interactions energy: -42.038 where: short stacking energy: -42.038 Base-Backbone interact. energy: -0.023 local terms energy: -62.976743 where: bonds (distance) C4'-P energy: -17.813 bonds (distance) P-C4' energy: -15.937 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -282.031863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.031863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.031863 (E_RNA) where: Base-Base interactions energy: -200.750 where: short stacking energy: -81.785 Base-Backbone interact. energy: -0.081 local terms energy: -81.200848 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -18.066 flat angles C4'-P-C4' energy: -17.408 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -18.141 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: 41 Temperature: 0.950000 Total energy: -272.087547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.087547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.087547 (E_RNA) where: Base-Base interactions energy: -194.611 where: short stacking energy: -86.990 Base-Backbone interact. energy: -0.980 local terms energy: -76.496884 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -18.128 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -12.777 tors. eta vs tors. theta energy: -17.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -273.872659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.872659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.872659 (E_RNA) where: Base-Base interactions energy: -202.415 where: short stacking energy: -80.350 Base-Backbone interact. energy: -2.426 local terms energy: -69.031680 where: bonds (distance) C4'-P energy: -17.242 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -12.666 tors. eta vs tors. theta energy: -11.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -226.379760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.379760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.379760 (E_RNA) where: Base-Base interactions energy: -153.574 where: short stacking energy: -82.097 Base-Backbone interact. energy: 0.215 local terms energy: -73.021236 where: bonds (distance) C4'-P energy: -17.553 bonds (distance) P-C4' energy: -13.685 flat angles C4'-P-C4' energy: -17.065 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -230.498967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.498967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.498967 (E_RNA) where: Base-Base interactions energy: -145.550 where: short stacking energy: -84.809 Base-Backbone interact. energy: -0.007 local terms energy: -84.941862 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -19.124 flat angles C4'-P-C4' energy: -19.472 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: -19.784 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: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -267.812795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.812795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.812795 (E_RNA) where: Base-Base interactions energy: -188.991 where: short stacking energy: -79.510 Base-Backbone interact. energy: -0.116 local terms energy: -78.705850 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -18.907 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -20.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -223.755704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.755704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.755704 (E_RNA) where: Base-Base interactions energy: -148.567 where: short stacking energy: -87.927 Base-Backbone interact. energy: -0.002 local terms energy: -75.187300 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -24.080 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: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -203.729968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.729968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.729968 (E_RNA) where: Base-Base interactions energy: -133.707 where: short stacking energy: -66.985 Base-Backbone interact. energy: -0.517 local terms energy: -69.506178 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -11.397 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -108.058166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.058166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.058166 (E_RNA) where: Base-Base interactions energy: -46.796 where: short stacking energy: -45.538 Base-Backbone interact. energy: -0.118 local terms energy: -61.143469 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -16.654 flat angles C4'-P-C4' energy: -16.892 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -90.640072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.640072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.640072 (E_RNA) where: Base-Base interactions energy: -42.252 where: short stacking energy: -36.863 Base-Backbone interact. energy: 0.301 local terms energy: -48.689662 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -15.695 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -292.083139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.083139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.083139 (E_RNA) where: Base-Base interactions energy: -208.283 where: short stacking energy: -85.048 Base-Backbone interact. energy: -0.706 local terms energy: -83.093966 where: bonds (distance) C4'-P energy: -18.498 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -17.430 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -18.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -272.114663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.114663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.114663 (E_RNA) where: Base-Base interactions energy: -192.396 where: short stacking energy: -87.212 Base-Backbone interact. energy: -0.637 local terms energy: -79.081983 where: bonds (distance) C4'-P energy: -16.749 bonds (distance) P-C4' energy: -17.241 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -19.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -268.320953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.320953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.320953 (E_RNA) where: Base-Base interactions energy: -197.461 where: short stacking energy: -75.423 Base-Backbone interact. energy: -1.168 local terms energy: -69.692037 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -16.656 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -14.050 tors. eta vs tors. theta energy: -13.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -234.501389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.501389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.501389 (E_RNA) where: Base-Base interactions energy: -159.924 where: short stacking energy: -90.457 Base-Backbone interact. energy: -0.048 local terms energy: -74.528587 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -20.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -267.577737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.577737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.577737 (E_RNA) where: Base-Base interactions energy: -191.553 where: short stacking energy: -76.339 Base-Backbone interact. energy: 0.588 local terms energy: -76.613227 where: bonds (distance) C4'-P energy: -18.531 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -13.257 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -219.439671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.439671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.439671 (E_RNA) where: Base-Base interactions energy: -143.851 where: short stacking energy: -68.464 Base-Backbone interact. energy: -0.053 local terms energy: -75.535861 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -18.088 flat angles P-C4'-P energy: -11.682 tors. eta vs tors. theta energy: -18.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -213.802393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.802393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.802393 (E_RNA) where: Base-Base interactions energy: -136.652 where: short stacking energy: -66.635 Base-Backbone interact. energy: 0.418 local terms energy: -77.568709 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -19.448 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -16.581 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: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -227.310718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.310718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.310718 (E_RNA) where: Base-Base interactions energy: -149.137 where: short stacking energy: -84.091 Base-Backbone interact. energy: -0.112 local terms energy: -78.062583 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -20.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -98.934505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.934505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.934505 (E_RNA) where: Base-Base interactions energy: -49.383 where: short stacking energy: -43.665 Base-Backbone interact. energy: 1.382 local terms energy: -50.933871 where: bonds (distance) C4'-P energy: -13.370 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -12.923 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -2.960 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -97.067179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.067179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.067179 (E_RNA) where: Base-Base interactions energy: -50.301 where: short stacking energy: -45.206 Base-Backbone interact. energy: -0.178 local terms energy: -46.589009 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -12.519 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -6.987 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: 1, replica: 6 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -289.000408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.000408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.000408 (E_RNA) where: Base-Base interactions energy: -203.824 where: short stacking energy: -82.090 Base-Backbone interact. energy: -0.597 local terms energy: -84.579715 where: bonds (distance) C4'-P energy: -17.519 bonds (distance) P-C4' energy: -17.931 flat angles C4'-P-C4' energy: -16.543 flat angles P-C4'-P energy: -12.239 tors. eta vs tors. theta energy: -20.347 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: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -273.273619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.273619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.273619 (E_RNA) where: Base-Base interactions energy: -197.068 where: short stacking energy: -75.206 Base-Backbone interact. energy: -0.496 local terms energy: -75.709768 where: bonds (distance) C4'-P energy: -14.913 bonds (distance) P-C4' energy: -19.281 flat angles C4'-P-C4' energy: -16.907 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -13.546 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: 43 Temperature: 1.000000 Total energy: -279.419904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.419904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.419904 (E_RNA) where: Base-Base interactions energy: -192.868 where: short stacking energy: -85.769 Base-Backbone interact. energy: -0.159 local terms energy: -86.393185 where: bonds (distance) C4'-P energy: -17.963 bonds (distance) P-C4' energy: -15.757 flat angles C4'-P-C4' energy: -18.121 flat angles P-C4'-P energy: -13.549 tors. eta vs tors. theta energy: -21.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -280.510733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.510733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.510733 (E_RNA) where: Base-Base interactions energy: -199.029 where: short stacking energy: -82.094 Base-Backbone interact. energy: -0.140 local terms energy: -81.341735 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -17.463 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -13.092 tors. eta vs tors. theta energy: -17.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -239.144874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.144874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.144874 (E_RNA) where: Base-Base interactions energy: -153.455 where: short stacking energy: -92.532 Base-Backbone interact. energy: 0.255 local terms energy: -85.945627 where: bonds (distance) C4'-P energy: -18.070 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -17.991 flat angles P-C4'-P energy: -12.723 tors. eta vs tors. theta energy: -21.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -213.752120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.752120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.752120 (E_RNA) where: Base-Base interactions energy: -148.409 where: short stacking energy: -69.051 Base-Backbone interact. energy: -0.029 local terms energy: -65.314127 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -16.585 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -13.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -208.709342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.709342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.709342 (E_RNA) where: Base-Base interactions energy: -141.882 where: short stacking energy: -73.283 Base-Backbone interact. energy: -0.086 local terms energy: -66.741453 where: bonds (distance) C4'-P energy: -17.610 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -14.619 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: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -200.353884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.353884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.353884 (E_RNA) where: Base-Base interactions energy: -132.367 where: short stacking energy: -69.552 Base-Backbone interact. energy: -0.007 local terms energy: -67.979962 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -14.381 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -10.644 tors. eta vs tors. theta energy: -15.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -103.985055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.985055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.985055 (E_RNA) where: Base-Base interactions energy: -50.839 where: short stacking energy: -34.685 Base-Backbone interact. energy: -0.644 local terms energy: -52.501983 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -17.658 flat angles C4'-P-C4' energy: -15.991 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -104.849902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.849902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.849902 (E_RNA) where: Base-Base interactions energy: -55.550 where: short stacking energy: -47.070 Base-Backbone interact. energy: -0.267 local terms energy: -49.033050 where: bonds (distance) C4'-P energy: -3.934 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -17.548 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -284.449548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.449548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.449548 (E_RNA) where: Base-Base interactions energy: -196.665 where: short stacking energy: -79.523 Base-Backbone interact. energy: 0.866 local terms energy: -88.650879 where: bonds (distance) C4'-P energy: -17.189 bonds (distance) P-C4' energy: -20.698 flat angles C4'-P-C4' energy: -19.291 flat angles P-C4'-P energy: -12.210 tors. eta vs tors. theta energy: -19.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -275.719170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.719170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.719170 (E_RNA) where: Base-Base interactions energy: -203.337 where: short stacking energy: -78.079 Base-Backbone interact. energy: -0.332 local terms energy: -72.049964 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -16.794 flat angles C4'-P-C4' energy: -16.259 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -15.510 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: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -272.412377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.412377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.412377 (E_RNA) where: Base-Base interactions energy: -192.079 where: short stacking energy: -77.252 Base-Backbone interact. energy: -1.107 local terms energy: -79.226728 where: bonds (distance) C4'-P energy: -16.423 bonds (distance) P-C4' energy: -17.331 flat angles C4'-P-C4' energy: -18.947 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -15.197 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: 8 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -263.147998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.147998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.147998 (E_RNA) where: Base-Base interactions energy: -188.255 where: short stacking energy: -79.763 Base-Backbone interact. energy: 0.687 local terms energy: -75.580971 where: bonds (distance) C4'-P energy: -11.491 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -18.656 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -20.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -228.921094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.921094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.921094 (E_RNA) where: Base-Base interactions energy: -151.802 where: short stacking energy: -76.165 Base-Backbone interact. energy: -0.308 local terms energy: -76.810403 where: bonds (distance) C4'-P energy: -16.658 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -12.574 tors. eta vs tors. theta energy: -18.379 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: 6, replica: 3 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -228.010044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.010044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.010044 (E_RNA) where: Base-Base interactions energy: -150.048 where: short stacking energy: -92.018 Base-Backbone interact. energy: -0.027 local terms energy: -77.935384 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -11.847 flat angles C4'-P-C4' energy: -17.428 flat angles P-C4'-P energy: -13.742 tors. eta vs tors. theta energy: -23.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -210.701633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.701633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.701633 (E_RNA) where: Base-Base interactions energy: -137.750 where: short stacking energy: -66.286 Base-Backbone interact. energy: -0.006 local terms energy: -72.945398 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -17.449 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -21.852 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: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -215.270364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.270364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.270364 (E_RNA) where: Base-Base interactions energy: -149.822 where: short stacking energy: -84.425 Base-Backbone interact. energy: -0.003 local terms energy: -65.445514 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -19.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -142.740309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.740309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.740309 (E_RNA) where: Base-Base interactions energy: -91.323 where: short stacking energy: -42.978 Base-Backbone interact. energy: -0.162 local terms energy: -51.256103 where: bonds (distance) C4'-P energy: -14.119 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -83.768673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.768673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.768673 (E_RNA) where: Base-Base interactions energy: -31.050 where: short stacking energy: -27.791 Base-Backbone interact. energy: -0.812 local terms energy: -51.906319 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -13.138 tors. eta vs tors. theta energy: 0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -285.516931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.516931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.516931 (E_RNA) where: Base-Base interactions energy: -198.793 where: short stacking energy: -81.375 Base-Backbone interact. energy: -0.165 local terms energy: -86.558875 where: bonds (distance) C4'-P energy: -16.789 bonds (distance) P-C4' energy: -17.920 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -14.799 tors. eta vs tors. theta energy: -18.734 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: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -279.944984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.944984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.944984 (E_RNA) where: Base-Base interactions energy: -195.393 where: short stacking energy: -77.416 Base-Backbone interact. energy: -0.122 local terms energy: -84.429260 where: bonds (distance) C4'-P energy: -17.946 bonds (distance) P-C4' energy: -18.431 flat angles C4'-P-C4' energy: -19.583 flat angles P-C4'-P energy: -12.189 tors. eta vs tors. theta energy: -16.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -271.649714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.649714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.649714 (E_RNA) where: Base-Base interactions energy: -195.471 where: short stacking energy: -74.086 Base-Backbone interact. energy: -0.242 local terms energy: -75.936235 where: bonds (distance) C4'-P energy: -17.165 bonds (distance) P-C4' energy: -16.919 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -16.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -265.132254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.132254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.132254 (E_RNA) where: Base-Base interactions energy: -190.270 where: short stacking energy: -88.526 Base-Backbone interact. energy: -0.240 local terms energy: -74.622140 where: bonds (distance) C4'-P energy: -15.959 bonds (distance) P-C4' energy: -10.528 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -12.673 tors. eta vs tors. theta energy: -19.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -218.613265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.613265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.613265 (E_RNA) where: Base-Base interactions energy: -149.050 where: short stacking energy: -70.943 Base-Backbone interact. energy: -0.003 local terms energy: -69.559671 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -18.445 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -16.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -223.081970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.081970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.081970 (E_RNA) where: Base-Base interactions energy: -151.106 where: short stacking energy: -74.383 Base-Backbone interact. energy: -0.147 local terms energy: -71.829764 where: bonds (distance) C4'-P energy: -14.187 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -17.266 flat angles P-C4'-P energy: -12.221 tors. eta vs tors. theta energy: -14.834 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: 7, replica: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -219.687277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.687277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.687277 (E_RNA) where: Base-Base interactions energy: -139.754 where: short stacking energy: -71.082 Base-Backbone interact. energy: -0.004 local terms energy: -79.929472 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -17.847 flat angles C4'-P-C4' energy: -17.128 flat angles P-C4'-P energy: -13.332 tors. eta vs tors. theta energy: -19.853 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: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -201.394751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.394751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.394751 (E_RNA) where: Base-Base interactions energy: -133.654 where: short stacking energy: -73.913 Base-Backbone interact. energy: -0.212 local terms energy: -67.527916 where: bonds (distance) C4'-P energy: -7.756 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -16.623 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -20.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -104.941342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.941342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.941342 (E_RNA) where: Base-Base interactions energy: -47.009 where: short stacking energy: -43.551 Base-Backbone interact. energy: -0.102 local terms energy: -57.830739 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -16.510 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -9.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -100.741807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.741807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.741807 (E_RNA) where: Base-Base interactions energy: -40.673 where: short stacking energy: -41.773 Base-Backbone interact. energy: 2.328 local terms energy: -62.396589 where: bonds (distance) C4'-P energy: -16.639 bonds (distance) P-C4' energy: -13.854 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -9.811 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: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -286.219071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.219071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.219071 (E_RNA) where: Base-Base interactions energy: -210.777 where: short stacking energy: -86.625 Base-Backbone interact. energy: -0.444 local terms energy: -74.998133 where: bonds (distance) C4'-P energy: -16.333 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -23.132 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: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -277.672034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.672034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.672034 (E_RNA) where: Base-Base interactions energy: -196.077 where: short stacking energy: -80.182 Base-Backbone interact. energy: -0.558 local terms energy: -81.036623 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -18.469 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -20.711 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: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -267.686310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.686310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.686310 (E_RNA) where: Base-Base interactions energy: -193.179 where: short stacking energy: -82.719 Base-Backbone interact. energy: -0.506 local terms energy: -74.000528 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -17.458 flat angles C4'-P-C4' energy: -18.258 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -17.724 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: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -264.662236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.662236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.662236 (E_RNA) where: Base-Base interactions energy: -191.509 where: short stacking energy: -72.846 Base-Backbone interact. energy: -1.110 local terms energy: -72.043234 where: bonds (distance) C4'-P energy: -16.945 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -11.504 tors. eta vs tors. theta energy: -12.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -232.480685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.480685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.480685 (E_RNA) where: Base-Base interactions energy: -148.532 where: short stacking energy: -72.294 Base-Backbone interact. energy: -0.016 local terms energy: -83.932983 where: bonds (distance) C4'-P energy: -19.557 bonds (distance) P-C4' energy: -16.773 flat angles C4'-P-C4' energy: -16.591 flat angles P-C4'-P energy: -11.470 tors. eta vs tors. theta energy: -19.542 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: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -244.212598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.212598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.212598 (E_RNA) where: Base-Base interactions energy: -174.257 where: short stacking energy: -72.613 Base-Backbone interact. energy: 3.392 local terms energy: -73.348103 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -14.256 flat angles C4'-P-C4' energy: -17.829 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -14.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -195.468890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.468890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.468890 (E_RNA) where: Base-Base interactions energy: -131.519 where: short stacking energy: -65.530 Base-Backbone interact. energy: -0.604 local terms energy: -63.345403 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -17.092 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -13.228 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: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -219.344481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.344481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.344481 (E_RNA) where: Base-Base interactions energy: -141.460 where: short stacking energy: -72.255 Base-Backbone interact. energy: -0.067 local terms energy: -77.816961 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -17.643 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -20.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -120.452615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.452615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.452615 (E_RNA) where: Base-Base interactions energy: -59.604 where: short stacking energy: -59.604 Base-Backbone interact. energy: -0.140 local terms energy: -60.707916 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -9.231 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: 46 Temperature: 1.350000 Total energy: -114.975378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.975378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.975378 (E_RNA) where: Base-Base interactions energy: -61.447 where: short stacking energy: -39.431 Base-Backbone interact. energy: -2.839 local terms energy: -50.688633 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -5.452 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -290.612007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.612007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.612007 (E_RNA) where: Base-Base interactions energy: -205.662 where: short stacking energy: -87.013 Base-Backbone interact. energy: -1.389 local terms energy: -83.561620 where: bonds (distance) C4'-P energy: -16.576 bonds (distance) P-C4' energy: -17.001 flat angles C4'-P-C4' energy: -16.814 flat angles P-C4'-P energy: -12.362 tors. eta vs tors. theta energy: -20.809 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: 47 Temperature: 0.950000 Total energy: -283.487521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.487521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.487521 (E_RNA) where: Base-Base interactions energy: -199.433 where: short stacking energy: -83.714 Base-Backbone interact. energy: -1.290 local terms energy: -82.763686 where: bonds (distance) C4'-P energy: -16.072 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -17.798 flat angles P-C4'-P energy: -12.098 tors. eta vs tors. theta energy: -20.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -270.627918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.627918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.627918 (E_RNA) where: Base-Base interactions energy: -198.072 where: short stacking energy: -81.600 Base-Backbone interact. energy: -0.284 local terms energy: -72.272043 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -18.084 flat angles P-C4'-P energy: -13.333 tors. eta vs tors. theta energy: -15.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -277.393565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.393565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.393565 (E_RNA) where: Base-Base interactions energy: -203.819 where: short stacking energy: -81.853 Base-Backbone interact. energy: -1.182 local terms energy: -72.392588 where: bonds (distance) C4'-P energy: -16.683 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -18.020 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -14.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -205.796372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.796372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.796372 (E_RNA) where: Base-Base interactions energy: -143.679 where: short stacking energy: -79.052 Base-Backbone interact. energy: -0.106 local terms energy: -62.011121 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -17.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -259.305503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.305503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.305503 (E_RNA) where: Base-Base interactions energy: -184.590 where: short stacking energy: -79.342 Base-Backbone interact. energy: 1.977 local terms energy: -76.692766 where: bonds (distance) C4'-P energy: -15.922 bonds (distance) P-C4' energy: -16.661 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -18.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -201.284645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.284645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.284645 (E_RNA) where: Base-Base interactions energy: -137.406 where: short stacking energy: -59.241 Base-Backbone interact. energy: -1.543 local terms energy: -62.335433 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -10.598 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: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -207.156580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.156580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.156580 (E_RNA) where: Base-Base interactions energy: -137.036 where: short stacking energy: -73.281 Base-Backbone interact. energy: -0.211 local terms energy: -69.909564 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -13.854 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -18.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -101.773972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.773972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.773972 (E_RNA) where: Base-Base interactions energy: -46.696 where: short stacking energy: -41.114 Base-Backbone interact. energy: -1.698 local terms energy: -53.380437 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -10.787 flat angles P-C4'-P energy: -7.370 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: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -113.685673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.685673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.685673 (E_RNA) where: Base-Base interactions energy: -78.280 where: short stacking energy: -49.001 Base-Backbone interact. energy: 0.514 local terms energy: -35.919618 where: bonds (distance) C4'-P energy: -8.880 bonds (distance) P-C4' energy: -12.640 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -1.879 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: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -286.743376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.743376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.743376 (E_RNA) where: Base-Base interactions energy: -213.220 where: short stacking energy: -84.999 Base-Backbone interact. energy: -0.195 local terms energy: -73.328268 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -13.844 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -12.661 tors. eta vs tors. theta energy: -21.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -277.805714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.805714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.805714 (E_RNA) where: Base-Base interactions energy: -193.110 where: short stacking energy: -80.076 Base-Backbone interact. energy: 0.452 local terms energy: -85.147210 where: bonds (distance) C4'-P energy: -16.180 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -17.701 flat angles P-C4'-P energy: -14.681 tors. eta vs tors. theta energy: -21.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -267.827935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.827935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.827935 (E_RNA) where: Base-Base interactions energy: -193.002 where: short stacking energy: -77.582 Base-Backbone interact. energy: 0.378 local terms energy: -75.204435 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -14.735 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -15.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -261.121052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.121052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.121052 (E_RNA) where: Base-Base interactions energy: -189.262 where: short stacking energy: -77.417 Base-Backbone interact. energy: 0.730 local terms energy: -72.589421 where: bonds (distance) C4'-P energy: -15.586 bonds (distance) P-C4' energy: -18.206 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -19.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -248.775404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.775404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.775404 (E_RNA) where: Base-Base interactions energy: -172.196 where: short stacking energy: -73.821 Base-Backbone interact. energy: -0.405 local terms energy: -76.174400 where: bonds (distance) C4'-P energy: -17.152 bonds (distance) P-C4' energy: -18.397 flat angles C4'-P-C4' energy: -17.576 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -14.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -229.970412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.970412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.970412 (E_RNA) where: Base-Base interactions energy: -160.982 where: short stacking energy: -69.800 Base-Backbone interact. energy: -0.072 local terms energy: -68.916710 where: bonds (distance) C4'-P energy: -15.745 bonds (distance) P-C4' energy: -14.566 flat angles C4'-P-C4' energy: -16.130 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -13.818 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: 7, replica: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -213.733708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.733708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.733708 (E_RNA) where: Base-Base interactions energy: -139.380 where: short stacking energy: -75.545 Base-Backbone interact. energy: -0.554 local terms energy: -73.799597 where: bonds (distance) C4'-P energy: -17.375 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -21.779 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: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -211.780067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.780067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.780067 (E_RNA) where: Base-Base interactions energy: -139.248 where: short stacking energy: -55.022 Base-Backbone interact. energy: 0.760 local terms energy: -73.291924 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -18.464 flat angles C4'-P-C4' energy: -17.465 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -9.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -100.757751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.757751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.757751 (E_RNA) where: Base-Base interactions energy: -54.755 where: short stacking energy: -49.845 Base-Backbone interact. energy: -0.441 local terms energy: -45.562276 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -8.896 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: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -130.722371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.722371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.722371 (E_RNA) where: Base-Base interactions energy: -78.202 where: short stacking energy: -50.059 Base-Backbone interact. energy: -0.325 local terms energy: -52.195370 where: bonds (distance) C4'-P energy: -7.102 bonds (distance) P-C4' energy: -17.150 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -9.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -287.496094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.496094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.496094 (E_RNA) where: Base-Base interactions energy: -205.533 where: short stacking energy: -85.595 Base-Backbone interact. energy: -0.671 local terms energy: -81.291574 where: bonds (distance) C4'-P energy: -17.797 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -16.954 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -22.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -276.462514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.462514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.462514 (E_RNA) where: Base-Base interactions energy: -198.708 where: short stacking energy: -75.766 Base-Backbone interact. energy: -0.387 local terms energy: -77.367725 where: bonds (distance) C4'-P energy: -15.910 bonds (distance) P-C4' energy: -17.189 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -15.676 tors. eta vs tors. theta energy: -15.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -275.411486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.411486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.411486 (E_RNA) where: Base-Base interactions energy: -195.454 where: short stacking energy: -83.507 Base-Backbone interact. energy: 0.445 local terms energy: -80.401767 where: bonds (distance) C4'-P energy: -16.470 bonds (distance) P-C4' energy: -16.533 flat angles C4'-P-C4' energy: -16.154 flat angles P-C4'-P energy: -12.827 tors. eta vs tors. theta energy: -18.419 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: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -244.795033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.795033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.795033 (E_RNA) where: Base-Base interactions energy: -174.433 where: short stacking energy: -71.263 Base-Backbone interact. energy: -1.295 local terms energy: -69.066764 where: bonds (distance) C4'-P energy: -15.406 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -11.603 tors. eta vs tors. theta energy: -13.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -253.906337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.906337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.906337 (E_RNA) where: Base-Base interactions energy: -172.318 where: short stacking energy: -78.503 Base-Backbone interact. energy: -0.448 local terms energy: -81.140215 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -16.615 flat angles P-C4'-P energy: -12.897 tors. eta vs tors. theta energy: -19.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -221.193091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.193091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.193091 (E_RNA) where: Base-Base interactions energy: -148.213 where: short stacking energy: -81.683 Base-Backbone interact. energy: -0.005 local terms energy: -72.975178 where: bonds (distance) C4'-P energy: -13.632 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -20.940 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: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -219.348659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.348659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.348659 (E_RNA) where: Base-Base interactions energy: -150.892 where: short stacking energy: -59.133 Base-Backbone interact. energy: -0.559 local terms energy: -67.898009 where: bonds (distance) C4'-P energy: -13.677 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -18.352 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -194.056031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.056031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.056031 (E_RNA) where: Base-Base interactions energy: -134.559 where: short stacking energy: -57.607 Base-Backbone interact. energy: -0.158 local terms energy: -59.338424 where: bonds (distance) C4'-P energy: -8.659 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -11.382 tors. eta vs tors. theta energy: -9.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -165.223485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.223485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.223485 (E_RNA) where: Base-Base interactions energy: -106.404 where: short stacking energy: -46.072 Base-Backbone interact. energy: -0.137 local terms energy: -58.682845 where: bonds (distance) C4'-P energy: -17.653 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -133.773534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.773534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.773534 (E_RNA) where: Base-Base interactions energy: -79.430 where: short stacking energy: -47.868 Base-Backbone interact. energy: -0.644 local terms energy: -53.698699 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -284.775654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.775654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.775654 (E_RNA) where: Base-Base interactions energy: -202.029 where: short stacking energy: -82.287 Base-Backbone interact. energy: -0.113 local terms energy: -82.633180 where: bonds (distance) C4'-P energy: -15.939 bonds (distance) P-C4' energy: -17.927 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -15.121 tors. eta vs tors. theta energy: -18.644 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: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -274.940084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.940084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.940084 (E_RNA) where: Base-Base interactions energy: -209.604 where: short stacking energy: -77.774 Base-Backbone interact. energy: -0.197 local terms energy: -65.139035 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -9.738 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -247.388271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.388271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.388271 (E_RNA) where: Base-Base interactions energy: -172.164 where: short stacking energy: -78.571 Base-Backbone interact. energy: 0.528 local terms energy: -75.752618 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -17.594 flat angles C4'-P-C4' energy: -18.396 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -14.367 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: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -269.574797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.574797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.574797 (E_RNA) where: Base-Base interactions energy: -188.576 where: short stacking energy: -78.133 Base-Backbone interact. energy: -0.450 local terms energy: -80.548215 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -17.995 flat angles C4'-P-C4' energy: -12.358 flat angles P-C4'-P energy: -13.230 tors. eta vs tors. theta energy: -21.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -254.055851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.055851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.055851 (E_RNA) where: Base-Base interactions energy: -185.067 where: short stacking energy: -82.810 Base-Backbone interact. energy: -0.622 local terms energy: -68.366676 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -14.855 flat angles C4'-P-C4' energy: -17.870 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -17.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -218.168310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.168310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.168310 (E_RNA) where: Base-Base interactions energy: -139.292 where: short stacking energy: -65.586 Base-Backbone interact. energy: -0.002 local terms energy: -78.873494 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -16.796 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -13.855 tors. eta vs tors. theta energy: -20.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -210.914552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.914552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.914552 (E_RNA) where: Base-Base interactions energy: -144.953 where: short stacking energy: -62.646 Base-Backbone interact. energy: 0.072 local terms energy: -66.033511 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -14.559 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -11.404 tors. eta vs tors. theta energy: -15.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -163.508693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.508693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.508693 (E_RNA) where: Base-Base interactions energy: -106.334 where: short stacking energy: -44.737 Base-Backbone interact. energy: -0.110 local terms energy: -57.064787 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -13.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -155.190104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.190104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.190104 (E_RNA) where: Base-Base interactions energy: -92.728 where: short stacking energy: -61.026 Base-Backbone interact. energy: -0.259 local terms energy: -62.203188 where: bonds (distance) C4'-P energy: -8.470 bonds (distance) P-C4' energy: -15.894 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -11.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -186.446049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.446049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.446049 (E_RNA) where: Base-Base interactions energy: -126.752 where: short stacking energy: -56.316 Base-Backbone interact. energy: -0.044 local terms energy: -59.649826 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -11.571 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -13.660 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: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -283.786169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.786169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.786169 (E_RNA) where: Base-Base interactions energy: -209.334 where: short stacking energy: -85.940 Base-Backbone interact. energy: -0.437 local terms energy: -74.015610 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -19.848 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -20.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -261.602772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.602772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.602772 (E_RNA) where: Base-Base interactions energy: -188.285 where: short stacking energy: -79.123 Base-Backbone interact. energy: -0.334 local terms energy: -72.984485 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -17.000 flat angles P-C4'-P energy: -13.434 tors. eta vs tors. theta energy: -14.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -270.310622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.310622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.310622 (E_RNA) where: Base-Base interactions energy: -193.384 where: short stacking energy: -72.504 Base-Backbone interact. energy: -0.271 local terms energy: -76.655287 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -16.878 flat angles C4'-P-C4' energy: -17.598 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -14.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -273.687745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.687745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.687745 (E_RNA) where: Base-Base interactions energy: -201.160 where: short stacking energy: -80.119 Base-Backbone interact. energy: -0.156 local terms energy: -72.372189 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -22.070 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: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -252.210035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.210035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.210035 (E_RNA) where: Base-Base interactions energy: -171.357 where: short stacking energy: -75.506 Base-Backbone interact. energy: -0.218 local terms energy: -80.634444 where: bonds (distance) C4'-P energy: -15.564 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -13.733 tors. eta vs tors. theta energy: -18.713 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: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -208.865223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.865223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.865223 (E_RNA) where: Base-Base interactions energy: -136.298 where: short stacking energy: -76.906 Base-Backbone interact. energy: -0.012 local terms energy: -72.555652 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -19.376 flat angles P-C4'-P energy: -8.118 tors. eta vs tors. theta energy: -19.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -190.621566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.621566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.621566 (E_RNA) where: Base-Base interactions energy: -128.026 where: short stacking energy: -59.523 Base-Backbone interact. energy: -0.117 local terms energy: -62.479201 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -13.746 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -13.944 tors. eta vs tors. theta energy: -10.842 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: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -105.237211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.237211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.237211 (E_RNA) where: Base-Base interactions energy: -50.024 where: short stacking energy: -32.444 Base-Backbone interact. energy: -0.181 local terms energy: -55.031319 where: bonds (distance) C4'-P energy: -17.118 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -1.619 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: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -130.434198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.434198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.434198 (E_RNA) where: Base-Base interactions energy: -78.281 where: short stacking energy: -34.072 Base-Backbone interact. energy: 0.055 local terms energy: -52.208033 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -9.938 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: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -190.860541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.860541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.860541 (E_RNA) where: Base-Base interactions energy: -127.825 where: short stacking energy: -62.109 Base-Backbone interact. energy: -0.088 local terms energy: -62.947571 where: bonds (distance) C4'-P energy: -9.629 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -12.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -295.316142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.316142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.316142 (E_RNA) where: Base-Base interactions energy: -204.141 where: short stacking energy: -73.021 Base-Backbone interact. energy: -1.562 local terms energy: -89.612909 where: bonds (distance) C4'-P energy: -20.107 bonds (distance) P-C4' energy: -17.198 flat angles C4'-P-C4' energy: -19.488 flat angles P-C4'-P energy: -15.087 tors. eta vs tors. theta energy: -17.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -261.462703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.462703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.462703 (E_RNA) where: Base-Base interactions energy: -187.201 where: short stacking energy: -84.448 Base-Backbone interact. energy: -0.332 local terms energy: -73.928999 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -17.519 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -11.364 tors. eta vs tors. theta energy: -16.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -276.651984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.651984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.651984 (E_RNA) where: Base-Base interactions energy: -197.975 where: short stacking energy: -87.771 Base-Backbone interact. energy: -0.105 local terms energy: -78.571723 where: bonds (distance) C4'-P energy: -18.278 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -16.135 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -16.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -277.822385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.822385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.822385 (E_RNA) where: Base-Base interactions energy: -204.862 where: short stacking energy: -80.557 Base-Backbone interact. energy: -0.553 local terms energy: -72.406842 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -17.462 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -13.158 tors. eta vs tors. theta energy: -16.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -255.434696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.434696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.434696 (E_RNA) where: Base-Base interactions energy: -184.691 where: short stacking energy: -81.237 Base-Backbone interact. energy: 0.272 local terms energy: -71.015373 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -13.628 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -18.647 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: 52 Temperature: 1.150000 Total energy: -233.665179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.665179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.665179 (E_RNA) where: Base-Base interactions energy: -147.326 where: short stacking energy: -79.614 Base-Backbone interact. energy: -0.294 local terms energy: -86.045164 where: bonds (distance) C4'-P energy: -16.336 bonds (distance) P-C4' energy: -17.220 flat angles C4'-P-C4' energy: -17.559 flat angles P-C4'-P energy: -11.900 tors. eta vs tors. theta energy: -23.031 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: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -116.849124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.849124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.849124 (E_RNA) where: Base-Base interactions energy: -63.777 where: short stacking energy: -37.058 Base-Backbone interact. energy: -0.452 local terms energy: -52.620098 where: bonds (distance) C4'-P energy: -17.022 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -190.576694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.576694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.576694 (E_RNA) where: Base-Base interactions energy: -114.338 where: short stacking energy: -56.250 Base-Backbone interact. energy: -0.036 local terms energy: -76.203286 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -18.759 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -14.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -208.876730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.876730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.876730 (E_RNA) where: Base-Base interactions energy: -140.560 where: short stacking energy: -76.998 Base-Backbone interact. energy: -0.214 local terms energy: -68.102108 where: bonds (distance) C4'-P energy: -16.792 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -15.046 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -18.195 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: 4 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -169.392923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.392923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.392923 (E_RNA) where: Base-Base interactions energy: -111.558 where: short stacking energy: -47.658 Base-Backbone interact. energy: -0.484 local terms energy: -57.350899 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -6.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -285.575454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.575454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.575454 (E_RNA) where: Base-Base interactions energy: -204.069 where: short stacking energy: -83.184 Base-Backbone interact. energy: -2.354 local terms energy: -79.152246 where: bonds (distance) C4'-P energy: -14.337 bonds (distance) P-C4' energy: -17.397 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -21.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -291.459625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.459625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.459625 (E_RNA) where: Base-Base interactions energy: -210.741 where: short stacking energy: -88.084 Base-Backbone interact. energy: -1.856 local terms energy: -78.862460 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -19.527 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -20.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -261.279016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.279016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.279016 (E_RNA) where: Base-Base interactions energy: -188.033 where: short stacking energy: -79.211 Base-Backbone interact. energy: -0.231 local terms energy: -73.015712 where: bonds (distance) C4'-P energy: -15.963 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -16.747 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -271.988578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.988578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.988578 (E_RNA) where: Base-Base interactions energy: -196.902 where: short stacking energy: -71.236 Base-Backbone interact. energy: -0.193 local terms energy: -74.893219 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -16.254 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -18.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -246.956146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.956146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.956146 (E_RNA) where: Base-Base interactions energy: -178.227 where: short stacking energy: -74.032 Base-Backbone interact. energy: -0.390 local terms energy: -68.339812 where: bonds (distance) C4'-P energy: -9.550 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -16.936 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -205.614981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.614981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.614981 (E_RNA) where: Base-Base interactions energy: -135.541 where: short stacking energy: -72.432 Base-Backbone interact. energy: -0.048 local terms energy: -70.026920 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -17.082 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -12.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -116.719005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.719005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.719005 (E_RNA) where: Base-Base interactions energy: -60.073 where: short stacking energy: -44.035 Base-Backbone interact. energy: -0.299 local terms energy: -56.347711 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -18.956 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -197.304073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.304073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.304073 (E_RNA) where: Base-Base interactions energy: -136.324 where: short stacking energy: -64.484 Base-Backbone interact. energy: -0.338 local terms energy: -60.642299 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -10.258 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: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -178.808780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.808780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.808780 (E_RNA) where: Base-Base interactions energy: -109.012 where: short stacking energy: -62.606 Base-Backbone interact. energy: -0.043 local terms energy: -69.754043 where: bonds (distance) C4'-P energy: -11.541 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -15.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -156.179299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.179299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.179299 (E_RNA) where: Base-Base interactions energy: -98.600 where: short stacking energy: -58.740 Base-Backbone interact. energy: -0.001 local terms energy: -57.578052 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -291.541123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.541123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.541123 (E_RNA) where: Base-Base interactions energy: -207.929 where: short stacking energy: -88.497 Base-Backbone interact. energy: -2.190 local terms energy: -81.421722 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -16.725 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -22.123 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: 6 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -288.190620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.190620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.190620 (E_RNA) where: Base-Base interactions energy: -205.378 where: short stacking energy: -81.912 Base-Backbone interact. energy: -0.623 local terms energy: -82.189386 where: bonds (distance) C4'-P energy: -16.088 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -19.289 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -19.842 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: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -266.438582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.438582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.438582 (E_RNA) where: Base-Base interactions energy: -187.942 where: short stacking energy: -70.073 Base-Backbone interact. energy: -0.442 local terms energy: -78.054270 where: bonds (distance) C4'-P energy: -18.042 bonds (distance) P-C4' energy: -18.272 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -16.285 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: 54 Temperature: 1.050000 Total energy: -248.760150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.760150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.760150 (E_RNA) where: Base-Base interactions energy: -172.714 where: short stacking energy: -73.117 Base-Backbone interact. energy: 0.710 local terms energy: -76.756314 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -17.372 flat angles C4'-P-C4' energy: -17.430 flat angles P-C4'-P energy: -12.469 tors. eta vs tors. theta energy: -15.223 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: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -260.007869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.007869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.007869 (E_RNA) where: Base-Base interactions energy: -183.236 where: short stacking energy: -76.687 Base-Backbone interact. energy: -0.623 local terms energy: -76.148853 where: bonds (distance) C4'-P energy: -15.797 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -16.401 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -18.919 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: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -206.895021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.895021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.895021 (E_RNA) where: Base-Base interactions energy: -135.023 where: short stacking energy: -60.573 Base-Backbone interact. energy: -0.274 local terms energy: -71.597966 where: bonds (distance) C4'-P energy: -14.111 bonds (distance) P-C4' energy: -15.394 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -15.304 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: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -199.273088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.273088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.273088 (E_RNA) where: Base-Base interactions energy: -128.197 where: short stacking energy: -62.713 Base-Backbone interact. energy: -0.493 local terms energy: -70.583012 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -15.979 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -14.183 tors. eta vs tors. theta energy: -13.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -137.783027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.783027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.783027 (E_RNA) where: Base-Base interactions energy: -80.503 where: short stacking energy: -41.613 Base-Backbone interact. energy: -0.689 local terms energy: -56.591034 where: bonds (distance) C4'-P energy: -18.832 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -17.135 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -3.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -131.165740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.165740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.165740 (E_RNA) where: Base-Base interactions energy: -73.465 where: short stacking energy: -48.013 Base-Backbone interact. energy: -0.313 local terms energy: -57.387319 where: bonds (distance) C4'-P energy: -10.297 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -4.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -91.377986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.377986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.377986 (E_RNA) where: Base-Base interactions energy: -46.086 where: short stacking energy: -29.129 Base-Backbone interact. energy: -0.317 local terms energy: -44.974548 where: bonds (distance) C4'-P energy: -7.434 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: 2.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -292.769555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.769555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.769555 (E_RNA) where: Base-Base interactions energy: -208.234 where: short stacking energy: -86.984 Base-Backbone interact. energy: -1.360 local terms energy: -83.175763 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -14.429 flat angles C4'-P-C4' energy: -18.780 flat angles P-C4'-P energy: -15.416 tors. eta vs tors. theta energy: -19.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -281.841171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.841171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.841171 (E_RNA) where: Base-Base interactions energy: -200.156 where: short stacking energy: -83.794 Base-Backbone interact. energy: -0.428 local terms energy: -81.257883 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -15.302 flat angles C4'-P-C4' energy: -17.699 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -20.915 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: 55 Temperature: 1.000000 Total energy: -268.324177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.324177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.324177 (E_RNA) where: Base-Base interactions energy: -194.723 where: short stacking energy: -73.611 Base-Backbone interact. energy: -0.704 local terms energy: -72.897121 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -19.016 flat angles C4'-P-C4' energy: -9.952 flat angles P-C4'-P energy: -14.675 tors. eta vs tors. theta energy: -14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -275.456019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.456019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.456019 (E_RNA) where: Base-Base interactions energy: -193.574 where: short stacking energy: -83.861 Base-Backbone interact. energy: 1.229 local terms energy: -83.110701 where: bonds (distance) C4'-P energy: -18.079 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -18.124 flat angles P-C4'-P energy: -13.003 tors. eta vs tors. theta energy: -17.566 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: 55 Temperature: 1.100000 Total energy: -228.909049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.909049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.909049 (E_RNA) where: Base-Base interactions energy: -145.475 where: short stacking energy: -71.665 Base-Backbone interact. energy: -0.277 local terms energy: -83.157004 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -18.711 flat angles P-C4'-P energy: -13.830 tors. eta vs tors. theta energy: -19.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -237.246930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.246930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.246930 (E_RNA) where: Base-Base interactions energy: -162.260 where: short stacking energy: -80.573 Base-Backbone interact. energy: -0.164 local terms energy: -74.822575 where: bonds (distance) C4'-P energy: -11.134 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -17.430 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -19.904 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: 55 Temperature: 1.200000 Total energy: -208.159850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.159850 (E_RNA) where: Base-Base interactions energy: -138.031 where: short stacking energy: -74.125 Base-Backbone interact. energy: -0.010 local terms energy: -70.118679 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -10.385 tors. eta vs tors. theta energy: -13.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -148.047544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.047544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.047544 (E_RNA) where: Base-Base interactions energy: -90.401 where: short stacking energy: -57.226 Base-Backbone interact. energy: -0.215 local terms energy: -57.431701 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -15.161 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -5.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -136.367889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.367889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.367889 (E_RNA) where: Base-Base interactions energy: -90.191 where: short stacking energy: -52.019 Base-Backbone interact. energy: -0.879 local terms energy: -45.297816 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -8.863 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: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -92.612822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.612822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.612822 (E_RNA) where: Base-Base interactions energy: -48.907 where: short stacking energy: -20.752 Base-Backbone interact. energy: -0.306 local terms energy: -43.399861 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: 2.647 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: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -280.882393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.882393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.882393 (E_RNA) where: Base-Base interactions energy: -199.462 where: short stacking energy: -82.737 Base-Backbone interact. energy: -0.152 local terms energy: -81.268912 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -18.318 flat angles C4'-P-C4' energy: -18.029 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -22.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -281.237961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.237961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.237961 (E_RNA) where: Base-Base interactions energy: -201.220 where: short stacking energy: -88.548 Base-Backbone interact. energy: -0.162 local terms energy: -79.856375 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -19.084 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -13.386 tors. eta vs tors. theta energy: -19.269 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -268.042488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.042488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.042488 (E_RNA) where: Base-Base interactions energy: -185.279 where: short stacking energy: -81.473 Base-Backbone interact. energy: -0.826 local terms energy: -81.937977 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -18.084 flat angles C4'-P-C4' energy: -17.936 flat angles P-C4'-P energy: -14.731 tors. eta vs tors. theta energy: -19.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -273.745827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.745827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.745827 (E_RNA) where: Base-Base interactions energy: -200.748 where: short stacking energy: -70.677 Base-Backbone interact. energy: 0.797 local terms energy: -73.794733 where: bonds (distance) C4'-P energy: -13.639 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: -14.097 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -233.692110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.692110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.692110 (E_RNA) where: Base-Base interactions energy: -161.657 where: short stacking energy: -75.389 Base-Backbone interact. energy: -0.243 local terms energy: -71.791894 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -15.380 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -8.099 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -224.737057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.737057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.737057 (E_RNA) where: Base-Base interactions energy: -153.697 where: short stacking energy: -73.654 Base-Backbone interact. energy: -0.002 local terms energy: -71.038142 where: bonds (distance) C4'-P energy: -13.667 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -18.337 flat angles P-C4'-P energy: -10.351 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -212.874407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.874407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.874407 (E_RNA) where: Base-Base interactions energy: -145.810 where: short stacking energy: -79.844 Base-Backbone interact. energy: -0.130 local terms energy: -66.934561 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -18.452 flat angles P-C4'-P energy: -8.181 tors. eta vs tors. theta energy: -15.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -100.072143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.072143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.072143 (E_RNA) where: Base-Base interactions energy: -42.304 where: short stacking energy: -41.889 Base-Backbone interact. energy: 0.390 local terms energy: -58.157914 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -97.172785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.172785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.172785 (E_RNA) where: Base-Base interactions energy: -48.618 where: short stacking energy: -25.718 Base-Backbone interact. energy: -0.816 local terms energy: -47.738709 where: bonds (distance) C4'-P energy: -9.327 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -6.641 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: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -141.069504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.069504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.069504 (E_RNA) where: Base-Base interactions energy: -81.390 where: short stacking energy: -34.434 Base-Backbone interact. energy: -0.469 local terms energy: -59.210943 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -291.669484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.669484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.669484 (E_RNA) where: Base-Base interactions energy: -213.935 where: short stacking energy: -90.205 Base-Backbone interact. energy: 0.099 local terms energy: -77.832631 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -21.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -271.405153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.405153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.405153 (E_RNA) where: Base-Base interactions energy: -191.348 where: short stacking energy: -80.841 Base-Backbone interact. energy: 0.093 local terms energy: -80.150304 where: bonds (distance) C4'-P energy: -15.954 bonds (distance) P-C4' energy: -18.035 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -19.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -277.996452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.996452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.996452 (E_RNA) where: Base-Base interactions energy: -195.524 where: short stacking energy: -81.168 Base-Backbone interact. energy: -0.587 local terms energy: -81.885328 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -18.486 flat angles C4'-P-C4' energy: -18.337 flat angles P-C4'-P energy: -11.724 tors. eta vs tors. theta energy: -21.854 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: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -273.840707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.840707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.840707 (E_RNA) where: Base-Base interactions energy: -202.624 where: short stacking energy: -75.318 Base-Backbone interact. energy: -2.584 local terms energy: -68.632980 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -17.502 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -233.401957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.401957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.401957 (E_RNA) where: Base-Base interactions energy: -154.877 where: short stacking energy: -69.560 Base-Backbone interact. energy: -0.035 local terms energy: -78.490053 where: bonds (distance) C4'-P energy: -15.877 bonds (distance) P-C4' energy: -17.088 flat angles C4'-P-C4' energy: -16.048 flat angles P-C4'-P energy: -12.796 tors. eta vs tors. theta energy: -16.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -212.261830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.261830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.261830 (E_RNA) where: Base-Base interactions energy: -140.663 where: short stacking energy: -76.960 Base-Backbone interact. energy: -0.097 local terms energy: -71.501091 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -19.817 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: 7, replica: 10 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -216.829116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.829116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.829116 (E_RNA) where: Base-Base interactions energy: -142.971 where: short stacking energy: -75.885 Base-Backbone interact. energy: -0.011 local terms energy: -73.847089 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -18.076 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -11.172 tors. eta vs tors. theta energy: -17.814 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: 4 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -141.025889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.025889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.025889 (E_RNA) where: Base-Base interactions energy: -72.483 where: short stacking energy: -57.498 Base-Backbone interact. energy: -0.056 local terms energy: -68.486564 where: bonds (distance) C4'-P energy: -18.273 bonds (distance) P-C4' energy: -14.968 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -10.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -112.248830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.248830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.248830 (E_RNA) where: Base-Base interactions energy: -59.051 where: short stacking energy: -29.003 Base-Backbone interact. energy: -0.101 local terms energy: -53.096673 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -18.729 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -98.867137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.867137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.867137 (E_RNA) where: Base-Base interactions energy: -47.474 where: short stacking energy: -34.890 Base-Backbone interact. energy: -0.050 local terms energy: -51.343428 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -293.734451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.734451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.734451 (E_RNA) where: Base-Base interactions energy: -207.130 where: short stacking energy: -86.494 Base-Backbone interact. energy: -0.069 local terms energy: -86.535003 where: bonds (distance) C4'-P energy: -18.444 bonds (distance) P-C4' energy: -18.035 flat angles C4'-P-C4' energy: -16.559 flat angles P-C4'-P energy: -13.049 tors. eta vs tors. theta energy: -20.448 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: 8 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -272.572865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.572865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.572865 (E_RNA) where: Base-Base interactions energy: -193.916 where: short stacking energy: -86.200 Base-Backbone interact. energy: -0.863 local terms energy: -77.793445 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -18.881 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -18.597 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: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -272.462790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.462790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.462790 (E_RNA) where: Base-Base interactions energy: -197.687 where: short stacking energy: -78.053 Base-Backbone interact. energy: -0.262 local terms energy: -74.513947 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -18.552 flat angles P-C4'-P energy: -11.376 tors. eta vs tors. theta energy: -17.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -273.383385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.383385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.383385 (E_RNA) where: Base-Base interactions energy: -199.347 where: short stacking energy: -83.028 Base-Backbone interact. energy: -0.628 local terms energy: -73.408271 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -17.312 flat angles C4'-P-C4' energy: -17.764 flat angles P-C4'-P energy: -12.575 tors. eta vs tors. theta energy: -19.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -226.868575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.868575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.868575 (E_RNA) where: Base-Base interactions energy: -156.162 where: short stacking energy: -73.478 Base-Backbone interact. energy: -0.413 local terms energy: -70.293425 where: bonds (distance) C4'-P energy: -16.292 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -17.855 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -12.542 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: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -211.919087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.919087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.919087 (E_RNA) where: Base-Base interactions energy: -144.791 where: short stacking energy: -79.101 Base-Backbone interact. energy: 1.295 local terms energy: -68.423158 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -16.760 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -11.660 tors. eta vs tors. theta energy: -15.719 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: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -213.512328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.512328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.512328 (E_RNA) where: Base-Base interactions energy: -143.004 where: short stacking energy: -68.121 Base-Backbone interact. energy: -0.010 local terms energy: -70.498468 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -12.061 tors. eta vs tors. theta energy: -16.486 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: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -108.868343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.868343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.868343 (E_RNA) where: Base-Base interactions energy: -60.869 where: short stacking energy: -39.309 Base-Backbone interact. energy: -0.211 local terms energy: -47.788478 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -13.879 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -5.962 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: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -109.350016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.350016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.350016 (E_RNA) where: Base-Base interactions energy: -57.155 where: short stacking energy: -48.172 Base-Backbone interact. energy: -0.190 local terms energy: -52.005580 where: bonds (distance) C4'-P energy: -8.719 bonds (distance) P-C4' energy: -18.958 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -8.297 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: 10, replica: 3 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -91.137161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.137161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.137161 (E_RNA) where: Base-Base interactions energy: -48.027 where: short stacking energy: -36.265 Base-Backbone interact. energy: 1.937 local terms energy: -45.046224 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -2.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -283.103608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.103608 (E_RNA) where: Base-Base interactions energy: -198.813 where: short stacking energy: -79.516 Base-Backbone interact. energy: -0.100 local terms energy: -84.190476 where: bonds (distance) C4'-P energy: -16.215 bonds (distance) P-C4' energy: -18.995 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -13.664 tors. eta vs tors. theta energy: -21.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -278.379533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.379533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.379533 (E_RNA) where: Base-Base interactions energy: -192.372 where: short stacking energy: -87.410 Base-Backbone interact. energy: -0.235 local terms energy: -85.773257 where: bonds (distance) C4'-P energy: -15.993 bonds (distance) P-C4' energy: -18.390 flat angles C4'-P-C4' energy: -19.760 flat angles P-C4'-P energy: -14.118 tors. eta vs tors. theta energy: -17.512 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: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -266.682552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.682552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.682552 (E_RNA) where: Base-Base interactions energy: -198.090 where: short stacking energy: -80.383 Base-Backbone interact. energy: -0.183 local terms energy: -68.409799 where: bonds (distance) C4'-P energy: -17.300 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -15.349 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: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -228.213102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.213102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.213102 (E_RNA) where: Base-Base interactions energy: -151.103 where: short stacking energy: -74.461 Base-Backbone interact. energy: -0.017 local terms energy: -77.093040 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -19.906 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -18.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -267.249908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.249908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.249908 (E_RNA) where: Base-Base interactions energy: -192.695 where: short stacking energy: -80.834 Base-Backbone interact. energy: -0.112 local terms energy: -74.442923 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -16.691 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -12.137 tors. eta vs tors. theta energy: -18.653 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: 6, replica: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -218.242383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.242383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.242383 (E_RNA) where: Base-Base interactions energy: -145.987 where: short stacking energy: -68.511 Base-Backbone interact. energy: 1.230 local terms energy: -73.485911 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -14.372 flat angles C4'-P-C4' energy: -18.203 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -18.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -198.877132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.877132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.877132 (E_RNA) where: Base-Base interactions energy: -124.142 where: short stacking energy: -59.341 Base-Backbone interact. energy: -0.584 local terms energy: -74.151724 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -17.531 flat angles C4'-P-C4' energy: -17.349 flat angles P-C4'-P energy: -12.539 tors. eta vs tors. theta energy: -12.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -119.565479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.565479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.565479 (E_RNA) where: Base-Base interactions energy: -74.424 where: short stacking energy: -44.112 Base-Backbone interact. energy: 1.319 local terms energy: -46.460511 where: bonds (distance) C4'-P energy: -9.554 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -8.489 flat angles P-C4'-P energy: -8.787 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: 9, replica: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -107.417712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.417712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.417712 (E_RNA) where: Base-Base interactions energy: -50.061 where: short stacking energy: -42.101 Base-Backbone interact. energy: -0.252 local terms energy: -57.105113 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -18.336 flat angles P-C4'-P energy: -9.184 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: 3 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -106.129519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.129519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.129519 (E_RNA) where: Base-Base interactions energy: -48.427 where: short stacking energy: -47.874 Base-Backbone interact. energy: -0.129 local terms energy: -57.573742 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -7.597 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: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -286.528701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.528701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.528701 (E_RNA) where: Base-Base interactions energy: -198.962 where: short stacking energy: -88.937 Base-Backbone interact. energy: -0.872 local terms energy: -86.695247 where: bonds (distance) C4'-P energy: -19.171 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -18.878 flat angles P-C4'-P energy: -11.144 tors. eta vs tors. theta energy: -21.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -273.017617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.017617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.017617 (E_RNA) where: Base-Base interactions energy: -192.049 where: short stacking energy: -82.323 Base-Backbone interact. energy: -0.532 local terms energy: -80.437079 where: bonds (distance) C4'-P energy: -15.673 bonds (distance) P-C4' energy: -16.816 flat angles C4'-P-C4' energy: -15.240 flat angles P-C4'-P energy: -12.563 tors. eta vs tors. theta energy: -20.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -269.217654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.217654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.217654 (E_RNA) where: Base-Base interactions energy: -196.215 where: short stacking energy: -82.455 Base-Backbone interact. energy: -0.178 local terms energy: -72.824507 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -17.684 flat angles P-C4'-P energy: -11.870 tors. eta vs tors. theta energy: -13.578 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: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -225.586605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.586605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.586605 (E_RNA) where: Base-Base interactions energy: -145.098 where: short stacking energy: -80.500 Base-Backbone interact. energy: -0.007 local terms energy: -80.481694 where: bonds (distance) C4'-P energy: -18.000 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -23.040 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: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -281.607474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.607474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.607474 (E_RNA) where: Base-Base interactions energy: -199.722 where: short stacking energy: -85.278 Base-Backbone interact. energy: -0.255 local terms energy: -81.631057 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -15.668 flat angles C4'-P-C4' energy: -18.041 flat angles P-C4'-P energy: -13.718 tors. eta vs tors. theta energy: -19.361 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: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -238.670015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.670015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.670015 (E_RNA) where: Base-Base interactions energy: -162.017 where: short stacking energy: -73.144 Base-Backbone interact. energy: -0.220 local terms energy: -76.433100 where: bonds (distance) C4'-P energy: -17.180 bonds (distance) P-C4' energy: -18.380 flat angles C4'-P-C4' energy: -15.761 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -15.369 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: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -196.773246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.773246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.773246 (E_RNA) where: Base-Base interactions energy: -127.915 where: short stacking energy: -61.088 Base-Backbone interact. energy: -0.374 local terms energy: -68.484805 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -10.460 tors. eta vs tors. theta energy: -12.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -142.025221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.025221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.025221 (E_RNA) where: Base-Base interactions energy: -81.572 where: short stacking energy: -40.684 Base-Backbone interact. energy: -0.077 local terms energy: -60.375995 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -123.615097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.615097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.615097 (E_RNA) where: Base-Base interactions energy: -71.051 where: short stacking energy: -43.427 Base-Backbone interact. energy: 0.993 local terms energy: -53.557396 where: bonds (distance) C4'-P energy: -7.784 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -101.250853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.250853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.250853 (E_RNA) where: Base-Base interactions energy: -47.115 where: short stacking energy: -33.805 Base-Backbone interact. energy: -0.250 local terms energy: -53.886096 where: bonds (distance) C4'-P energy: -15.379 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -3.023 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: 61 Temperature: 0.900000 Total energy: -290.606797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.606797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.606797 (E_RNA) where: Base-Base interactions energy: -213.141 where: short stacking energy: -92.171 Base-Backbone interact. energy: -0.409 local terms energy: -77.056091 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -12.788 tors. eta vs tors. theta energy: -21.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -276.732851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.732851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.732851 (E_RNA) where: Base-Base interactions energy: -202.291 where: short stacking energy: -80.505 Base-Backbone interact. energy: -0.162 local terms energy: -74.279977 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -20.422 flat angles P-C4'-P energy: -12.703 tors. eta vs tors. theta energy: -13.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -271.675434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.675434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.675434 (E_RNA) where: Base-Base interactions energy: -196.095 where: short stacking energy: -86.172 Base-Backbone interact. energy: -0.495 local terms energy: -75.085316 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -17.424 flat angles C4'-P-C4' energy: -15.344 flat angles P-C4'-P energy: -13.335 tors. eta vs tors. theta energy: -18.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -274.168626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.168626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.168626 (E_RNA) where: Base-Base interactions energy: -195.625 where: short stacking energy: -83.488 Base-Backbone interact. energy: -0.082 local terms energy: -78.461164 where: bonds (distance) C4'-P energy: -17.656 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -17.822 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -19.832 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: 2 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -220.442795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.442795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.442795 (E_RNA) where: Base-Base interactions energy: -135.770 where: short stacking energy: -72.553 Base-Backbone interact. energy: -0.585 local terms energy: -84.087450 where: bonds (distance) C4'-P energy: -16.924 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -11.793 tors. eta vs tors. theta energy: -22.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -202.751386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.751386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.751386 (E_RNA) where: Base-Base interactions energy: -135.745 where: short stacking energy: -62.447 Base-Backbone interact. energy: -0.417 local terms energy: -66.588747 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -15.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -212.508564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.508564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.508564 (E_RNA) where: Base-Base interactions energy: -136.014 where: short stacking energy: -70.899 Base-Backbone interact. energy: -0.002 local terms energy: -76.491950 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -16.900 flat angles C4'-P-C4' energy: -19.107 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -15.449 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: 61 Temperature: 1.250000 Total energy: -148.083063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.083063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.083063 (E_RNA) where: Base-Base interactions energy: -76.977 where: short stacking energy: -52.635 Base-Backbone interact. energy: -0.006 local terms energy: -71.099427 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -15.937 flat angles C4'-P-C4' energy: -15.856 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -12.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -106.566860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.566860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.566860 (E_RNA) where: Base-Base interactions energy: -51.032 where: short stacking energy: -40.126 Base-Backbone interact. energy: -0.288 local terms energy: -55.247006 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -10.653 flat angles C4'-P-C4' energy: -17.567 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -100.207094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.207094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.207094 (E_RNA) where: Base-Base interactions energy: -43.877 where: short stacking energy: -32.724 Base-Backbone interact. energy: -0.231 local terms energy: -56.099251 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -282.012103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.012103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.012103 (E_RNA) where: Base-Base interactions energy: -202.959 where: short stacking energy: -80.598 Base-Backbone interact. energy: -0.756 local terms energy: -78.297166 where: bonds (distance) C4'-P energy: -16.415 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -13.170 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -286.649346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.649346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.649346 (E_RNA) where: Base-Base interactions energy: -204.891 where: short stacking energy: -87.584 Base-Backbone interact. energy: -2.065 local terms energy: -79.693188 where: bonds (distance) C4'-P energy: -14.559 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -14.838 tors. eta vs tors. theta energy: -20.598 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: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -271.453570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.453570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.453570 (E_RNA) where: Base-Base interactions energy: -195.638 where: short stacking energy: -86.155 Base-Backbone interact. energy: 0.513 local terms energy: -76.328797 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -16.501 flat angles C4'-P-C4' energy: -16.190 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -18.652 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: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -281.899513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.899513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.899513 (E_RNA) where: Base-Base interactions energy: -201.591 where: short stacking energy: -82.616 Base-Backbone interact. energy: -1.118 local terms energy: -79.190716 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -14.559 flat angles C4'-P-C4' energy: -16.435 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -21.280 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: 2 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -225.448091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.448091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.448091 (E_RNA) where: Base-Base interactions energy: -151.208 where: short stacking energy: -81.062 Base-Backbone interact. energy: 0.261 local terms energy: -74.501358 where: bonds (distance) C4'-P energy: -6.706 bonds (distance) P-C4' energy: -17.131 flat angles C4'-P-C4' energy: -16.499 flat angles P-C4'-P energy: -13.920 tors. eta vs tors. theta energy: -20.245 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: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -213.542367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.542367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.542367 (E_RNA) where: Base-Base interactions energy: -134.867 where: short stacking energy: -68.933 Base-Backbone interact. energy: -0.010 local terms energy: -78.665499 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -17.763 flat angles C4'-P-C4' energy: -16.251 flat angles P-C4'-P energy: -12.200 tors. eta vs tors. theta energy: -16.227 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: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -216.363912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.363912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.363912 (E_RNA) where: Base-Base interactions energy: -147.795 where: short stacking energy: -71.098 Base-Backbone interact. energy: -0.511 local terms energy: -68.057871 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -17.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -146.484253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.484253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.484253 (E_RNA) where: Base-Base interactions energy: -78.693 where: short stacking energy: -48.999 Base-Backbone interact. energy: -0.933 local terms energy: -66.858766 where: bonds (distance) C4'-P energy: -16.860 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -18.221 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -6.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -113.951873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.951873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.951873 (E_RNA) where: Base-Base interactions energy: -62.178 where: short stacking energy: -44.317 Base-Backbone interact. energy: 0.675 local terms energy: -52.448897 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -102.382795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.382795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.382795 (E_RNA) where: Base-Base interactions energy: -51.032 where: short stacking energy: -34.667 Base-Backbone interact. energy: 1.046 local terms energy: -52.397289 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -12.028 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -9.068 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: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -279.003287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.003287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.003287 (E_RNA) where: Base-Base interactions energy: -202.112 where: short stacking energy: -83.377 Base-Backbone interact. energy: 0.608 local terms energy: -77.499474 where: bonds (distance) C4'-P energy: -16.498 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -19.522 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -14.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -284.781456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.781456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.781456 (E_RNA) where: Base-Base interactions energy: -205.016 where: short stacking energy: -88.813 Base-Backbone interact. energy: -0.630 local terms energy: -79.135126 where: bonds (distance) C4'-P energy: -17.378 bonds (distance) P-C4' energy: -18.371 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -11.739 tors. eta vs tors. theta energy: -16.899 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: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -273.448773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.448773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.448773 (E_RNA) where: Base-Base interactions energy: -192.970 where: short stacking energy: -79.883 Base-Backbone interact. energy: -0.570 local terms energy: -79.908507 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -17.666 flat angles C4'-P-C4' energy: -17.374 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -21.343 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: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -268.056882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.056882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.056882 (E_RNA) where: Base-Base interactions energy: -199.727 where: short stacking energy: -80.900 Base-Backbone interact. energy: -0.149 local terms energy: -68.181530 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -16.688 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -15.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -233.820963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.820963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.820963 (E_RNA) where: Base-Base interactions energy: -151.987 where: short stacking energy: -85.181 Base-Backbone interact. energy: -0.072 local terms energy: -81.762766 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -17.136 flat angles C4'-P-C4' energy: -15.990 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -23.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -219.622445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.622445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.622445 (E_RNA) where: Base-Base interactions energy: -151.959 where: short stacking energy: -77.650 Base-Backbone interact. energy: 2.447 local terms energy: -70.110342 where: bonds (distance) C4'-P energy: -15.646 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -16.219 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: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -205.584152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.584152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.584152 (E_RNA) where: Base-Base interactions energy: -136.362 where: short stacking energy: -68.773 Base-Backbone interact. energy: -0.707 local terms energy: -68.515025 where: bonds (distance) C4'-P energy: -15.683 bonds (distance) P-C4' energy: -12.061 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -15.287 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: 3 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -139.766586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.766586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.766586 (E_RNA) where: Base-Base interactions energy: -77.812 where: short stacking energy: -58.291 Base-Backbone interact. energy: -0.049 local terms energy: -61.905489 where: bonds (distance) C4'-P energy: -16.336 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -12.129 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: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -94.200244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.200244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.200244 (E_RNA) where: Base-Base interactions energy: -38.547 where: short stacking energy: -37.611 Base-Backbone interact. energy: -0.093 local terms energy: -55.560914 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -16.694 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -87.862750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.862750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.862750 (E_RNA) where: Base-Base interactions energy: -34.226 where: short stacking energy: -27.113 Base-Backbone interact. energy: 0.032 local terms energy: -53.669118 where: bonds (distance) C4'-P energy: -17.615 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -7.764 tors. eta vs tors. theta energy: 2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -289.580918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.580918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.580918 (E_RNA) where: Base-Base interactions energy: -205.557 where: short stacking energy: -84.277 Base-Backbone interact. energy: -0.746 local terms energy: -83.277281 where: bonds (distance) C4'-P energy: -15.963 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -17.951 flat angles P-C4'-P energy: -13.346 tors. eta vs tors. theta energy: -19.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -277.399501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.399501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.399501 (E_RNA) where: Base-Base interactions energy: -197.834 where: short stacking energy: -78.126 Base-Backbone interact. energy: -0.260 local terms energy: -79.305527 where: bonds (distance) C4'-P energy: -15.658 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -17.188 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -17.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -277.073091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.073091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.073091 (E_RNA) where: Base-Base interactions energy: -199.757 where: short stacking energy: -88.870 Base-Backbone interact. energy: -0.740 local terms energy: -76.575724 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -19.651 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -20.148 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: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -286.164117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.164117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.164117 (E_RNA) where: Base-Base interactions energy: -201.870 where: short stacking energy: -84.944 Base-Backbone interact. energy: -0.090 local terms energy: -84.203727 where: bonds (distance) C4'-P energy: -18.878 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -23.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -213.886057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.886057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.886057 (E_RNA) where: Base-Base interactions energy: -138.266 where: short stacking energy: -63.484 Base-Backbone interact. energy: 1.274 local terms energy: -76.894042 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -16.990 flat angles P-C4'-P energy: -14.276 tors. eta vs tors. theta energy: -16.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -234.935432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.935432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.935432 (E_RNA) where: Base-Base interactions energy: -167.311 where: short stacking energy: -79.862 Base-Backbone interact. energy: -0.065 local terms energy: -67.558911 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -16.538 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -15.090 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: 64 Temperature: 1.200000 Total energy: -210.144887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.144887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.144887 (E_RNA) where: Base-Base interactions energy: -135.321 where: short stacking energy: -61.017 Base-Backbone interact. energy: -0.524 local terms energy: -74.300398 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -19.058 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -13.365 tors. eta vs tors. theta energy: -16.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -139.178314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.178314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.178314 (E_RNA) where: Base-Base interactions energy: -93.835 where: short stacking energy: -46.657 Base-Backbone interact. energy: -0.587 local terms energy: -44.756505 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -1.385 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: 9, replica: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -119.152665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.152665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.152665 (E_RNA) where: Base-Base interactions energy: -67.939 where: short stacking energy: -31.403 Base-Backbone interact. energy: -0.253 local terms energy: -50.960275 where: bonds (distance) C4'-P energy: -18.029 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -2.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -97.851958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.851958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.851958 (E_RNA) where: Base-Base interactions energy: -51.767 where: short stacking energy: -48.850 Base-Backbone interact. energy: 2.345 local terms energy: -48.430197 where: bonds (distance) C4'-P energy: -10.672 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -1.463 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -290.829769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.829769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.829769 (E_RNA) where: Base-Base interactions energy: -206.548 where: short stacking energy: -83.285 Base-Backbone interact. energy: -0.298 local terms energy: -83.983625 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -17.760 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -22.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -267.210127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.210127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.210127 (E_RNA) where: Base-Base interactions energy: -191.686 where: short stacking energy: -87.871 Base-Backbone interact. energy: -0.311 local terms energy: -75.213431 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -12.904 flat angles C4'-P-C4' energy: -17.941 flat angles P-C4'-P energy: -7.449 tors. eta vs tors. theta energy: -21.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -269.028177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.028177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.028177 (E_RNA) where: Base-Base interactions energy: -196.013 where: short stacking energy: -76.007 Base-Backbone interact. energy: -0.167 local terms energy: -72.848424 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -15.565 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -13.080 tors. eta vs tors. theta energy: -16.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -275.827410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.827410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.827410 (E_RNA) where: Base-Base interactions energy: -192.710 where: short stacking energy: -83.322 Base-Backbone interact. energy: -0.340 local terms energy: -82.776765 where: bonds (distance) C4'-P energy: -17.449 bonds (distance) P-C4' energy: -17.921 flat angles C4'-P-C4' energy: -17.342 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -22.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -220.970926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.970926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.970926 (E_RNA) where: Base-Base interactions energy: -153.254 where: short stacking energy: -78.209 Base-Backbone interact. energy: -0.093 local terms energy: -67.624335 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -18.376 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -17.511 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: 2 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -241.750338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.750338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.750338 (E_RNA) where: Base-Base interactions energy: -168.301 where: short stacking energy: -86.832 Base-Backbone interact. energy: -0.165 local terms energy: -73.284377 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -16.179 flat angles C4'-P-C4' energy: -17.647 flat angles P-C4'-P energy: -11.409 tors. eta vs tors. theta energy: -16.972 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: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -197.319664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.319664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.319664 (E_RNA) where: Base-Base interactions energy: -127.709 where: short stacking energy: -59.554 Base-Backbone interact. energy: -0.850 local terms energy: -68.760440 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -15.723 flat angles C4'-P-C4' energy: -17.607 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -11.926 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: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -161.265050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.265050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.265050 (E_RNA) where: Base-Base interactions energy: -101.155 where: short stacking energy: -46.289 Base-Backbone interact. energy: -0.826 local terms energy: -59.284342 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -7.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -145.575128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.575128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.575128 (E_RNA) where: Base-Base interactions energy: -80.692 where: short stacking energy: -47.030 Base-Backbone interact. energy: 0.682 local terms energy: -65.565130 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -16.852 flat angles P-C4'-P energy: -12.136 tors. eta vs tors. theta energy: -8.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -112.817673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.817673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.817673 (E_RNA) where: Base-Base interactions energy: -58.879 where: short stacking energy: -41.280 Base-Backbone interact. energy: -0.269 local terms energy: -53.669300 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -11.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -278.542236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.542236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.542236 (E_RNA) where: Base-Base interactions energy: -194.855 where: short stacking energy: -86.911 Base-Backbone interact. energy: -0.505 local terms energy: -83.182320 where: bonds (distance) C4'-P energy: -16.675 bonds (distance) P-C4' energy: -18.330 flat angles C4'-P-C4' energy: -17.630 flat angles P-C4'-P energy: -11.702 tors. eta vs tors. theta energy: -18.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -279.572040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.572040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.572040 (E_RNA) where: Base-Base interactions energy: -198.373 where: short stacking energy: -80.345 Base-Backbone interact. energy: -0.149 local terms energy: -81.049473 where: bonds (distance) C4'-P energy: -16.018 bonds (distance) P-C4' energy: -16.499 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -12.531 tors. eta vs tors. theta energy: -19.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -275.105478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.105478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.105478 (E_RNA) where: Base-Base interactions energy: -200.308 where: short stacking energy: -86.290 Base-Backbone interact. energy: -0.116 local terms energy: -74.681520 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -13.366 tors. eta vs tors. theta energy: -17.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -272.778649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.778649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.778649 (E_RNA) where: Base-Base interactions energy: -198.891 where: short stacking energy: -81.417 Base-Backbone interact. energy: -0.862 local terms energy: -73.025671 where: bonds (distance) C4'-P energy: -16.755 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -11.919 tors. eta vs tors. theta energy: -13.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -219.948150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.948150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.948150 (E_RNA) where: Base-Base interactions energy: -146.402 where: short stacking energy: -75.221 Base-Backbone interact. energy: -0.181 local terms energy: -73.365571 where: bonds (distance) C4'-P energy: -17.343 bonds (distance) P-C4' energy: -11.453 flat angles C4'-P-C4' energy: -19.010 flat angles P-C4'-P energy: -12.859 tors. eta vs tors. theta energy: -12.701 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: 66 Temperature: 1.150000 Total energy: -216.815307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.815307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.815307 (E_RNA) where: Base-Base interactions energy: -147.292 where: short stacking energy: -76.011 Base-Backbone interact. energy: -0.353 local terms energy: -69.170154 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -15.689 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -17.506 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: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -211.994422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.994422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.994422 (E_RNA) where: Base-Base interactions energy: -146.130 where: short stacking energy: -73.157 Base-Backbone interact. energy: -0.915 local terms energy: -64.949057 where: bonds (distance) C4'-P energy: -10.751 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -10.633 tors. eta vs tors. theta energy: -19.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -156.432545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.432545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.432545 (E_RNA) where: Base-Base interactions energy: -95.421 where: short stacking energy: -51.110 Base-Backbone interact. energy: -0.595 local terms energy: -60.416722 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -17.491 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -154.150501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.150501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.150501 (E_RNA) where: Base-Base interactions energy: -100.559 where: short stacking energy: -38.750 Base-Backbone interact. energy: -0.963 local terms energy: -52.628308 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -115.676650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.676650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.676650 (E_RNA) where: Base-Base interactions energy: -65.859 where: short stacking energy: -29.673 Base-Backbone interact. energy: 0.139 local terms energy: -49.955993 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -280.068140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.068140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.068140 (E_RNA) where: Base-Base interactions energy: -193.911 where: short stacking energy: -83.848 Base-Backbone interact. energy: -0.434 local terms energy: -85.722396 where: bonds (distance) C4'-P energy: -18.239 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -17.958 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -21.863 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: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -279.933751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.933751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.933751 (E_RNA) where: Base-Base interactions energy: -195.281 where: short stacking energy: -85.486 Base-Backbone interact. energy: -0.181 local terms energy: -84.472310 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -14.276 tors. eta vs tors. theta energy: -20.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -271.380725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.380725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.380725 (E_RNA) where: Base-Base interactions energy: -200.438 where: short stacking energy: -81.667 Base-Backbone interact. energy: 0.009 local terms energy: -70.951934 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -18.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -264.512878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.512878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.512878 (E_RNA) where: Base-Base interactions energy: -199.869 where: short stacking energy: -76.235 Base-Backbone interact. energy: -0.201 local terms energy: -64.443214 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -8.906 flat angles C4'-P-C4' energy: -17.578 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -18.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -214.096289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.096289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.096289 (E_RNA) where: Base-Base interactions energy: -140.388 where: short stacking energy: -78.514 Base-Backbone interact. energy: -0.161 local terms energy: -73.547221 where: bonds (distance) C4'-P energy: -17.858 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -221.403673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.403673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.403673 (E_RNA) where: Base-Base interactions energy: -149.070 where: short stacking energy: -71.427 Base-Backbone interact. energy: 0.633 local terms energy: -72.967327 where: bonds (distance) C4'-P energy: -18.017 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -12.165 tors. eta vs tors. theta energy: -15.527 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: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -220.372380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.372380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.372380 (E_RNA) where: Base-Base interactions energy: -148.853 where: short stacking energy: -72.156 Base-Backbone interact. energy: 0.636 local terms energy: -72.155623 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -18.675 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: 3 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -164.747793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.747793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.747793 (E_RNA) where: Base-Base interactions energy: -108.206 where: short stacking energy: -53.980 Base-Backbone interact. energy: -0.741 local terms energy: -55.800426 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -15.865 flat angles P-C4'-P energy: -8.080 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: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -141.485019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.485019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.485019 (E_RNA) where: Base-Base interactions energy: -88.006 where: short stacking energy: -44.138 Base-Backbone interact. energy: -0.023 local terms energy: -53.456109 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -6.148 tors. eta vs tors. theta energy: -8.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -98.678979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.678979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.678979 (E_RNA) where: Base-Base interactions energy: -45.808 where: short stacking energy: -37.547 Base-Backbone interact. energy: -0.047 local terms energy: -52.824329 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -13.192 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -7.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -282.679559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.679559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.679559 (E_RNA) where: Base-Base interactions energy: -205.516 where: short stacking energy: -82.647 Base-Backbone interact. energy: -0.201 local terms energy: -76.961776 where: bonds (distance) C4'-P energy: -16.341 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -18.199 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -17.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -277.057664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.057664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.057664 (E_RNA) where: Base-Base interactions energy: -198.878 where: short stacking energy: -83.358 Base-Backbone interact. energy: -0.453 local terms energy: -77.726819 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -18.665 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -20.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -282.375652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.375652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.375652 (E_RNA) where: Base-Base interactions energy: -208.269 where: short stacking energy: -85.152 Base-Backbone interact. energy: -0.122 local terms energy: -73.985141 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -13.062 flat angles C4'-P-C4' energy: -19.024 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -20.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -266.052811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.052811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.052811 (E_RNA) where: Base-Base interactions energy: -187.304 where: short stacking energy: -75.300 Base-Backbone interact. energy: -0.955 local terms energy: -77.793423 where: bonds (distance) C4'-P energy: -17.483 bonds (distance) P-C4' energy: -16.274 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -13.469 tors. eta vs tors. theta energy: -15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -217.940670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.940670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.940670 (E_RNA) where: Base-Base interactions energy: -143.233 where: short stacking energy: -71.390 Base-Backbone interact. energy: -0.102 local terms energy: -74.605875 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -15.667 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -17.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -230.800988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.800988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.800988 (E_RNA) where: Base-Base interactions energy: -155.153 where: short stacking energy: -69.164 Base-Backbone interact. energy: -0.002 local terms energy: -75.646416 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -20.229 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: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -214.293866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.293866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.293866 (E_RNA) where: Base-Base interactions energy: -143.262 where: short stacking energy: -71.260 Base-Backbone interact. energy: -0.078 local terms energy: -70.953795 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -15.922 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -15.722 tors. eta vs tors. theta energy: -11.499 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: 68 Temperature: 1.250000 Total energy: -159.349921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.349921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.349921 (E_RNA) where: Base-Base interactions energy: -109.369 where: short stacking energy: -49.301 Base-Backbone interact. energy: 0.655 local terms energy: -50.635846 where: bonds (distance) C4'-P energy: -8.680 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -8.828 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: 9, replica: 4 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -121.420287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.420287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.420287 (E_RNA) where: Base-Base interactions energy: -61.876 where: short stacking energy: -36.549 Base-Backbone interact. energy: -1.173 local terms energy: -58.370976 where: bonds (distance) C4'-P energy: -16.298 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -11.956 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: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -94.884614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.884614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.884614 (E_RNA) where: Base-Base interactions energy: -38.969 where: short stacking energy: -36.594 Base-Backbone interact. energy: -0.874 local terms energy: -55.041564 where: bonds (distance) C4'-P energy: -9.690 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -18.887 flat angles P-C4'-P energy: -9.812 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: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -283.790217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.790217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.790217 (E_RNA) where: Base-Base interactions energy: -203.107 where: short stacking energy: -85.969 Base-Backbone interact. energy: -0.586 local terms energy: -80.097616 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -18.090 flat angles C4'-P-C4' energy: -18.762 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -18.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -280.989388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.989388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.989388 (E_RNA) where: Base-Base interactions energy: -194.246 where: short stacking energy: -77.506 Base-Backbone interact. energy: -0.689 local terms energy: -86.054227 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -16.930 flat angles C4'-P-C4' energy: -17.957 flat angles P-C4'-P energy: -13.667 tors. eta vs tors. theta energy: -21.265 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: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -266.341557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.341557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.341557 (E_RNA) where: Base-Base interactions energy: -190.447 where: short stacking energy: -86.540 Base-Backbone interact. energy: 0.876 local terms energy: -76.770822 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -267.996265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.996265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.996265 (E_RNA) where: Base-Base interactions energy: -196.760 where: short stacking energy: -76.590 Base-Backbone interact. energy: 0.304 local terms energy: -71.540376 where: bonds (distance) C4'-P energy: -16.365 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -13.064 tors. eta vs tors. theta energy: -13.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -219.099892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.099892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.099892 (E_RNA) where: Base-Base interactions energy: -145.717 where: short stacking energy: -74.815 Base-Backbone interact. energy: -0.850 local terms energy: -72.533136 where: bonds (distance) C4'-P energy: -15.835 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -19.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -209.126950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.126950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.126950 (E_RNA) where: Base-Base interactions energy: -136.248 where: short stacking energy: -68.556 Base-Backbone interact. energy: -0.216 local terms energy: -72.663348 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -12.852 tors. eta vs tors. theta energy: -14.149 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: 69 Temperature: 1.200000 Total energy: -225.012714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.012714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.012714 (E_RNA) where: Base-Base interactions energy: -156.234 where: short stacking energy: -82.065 Base-Backbone interact. energy: -0.063 local terms energy: -68.715303 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -16.223 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -17.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -157.428418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.428418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.428418 (E_RNA) where: Base-Base interactions energy: -97.787 where: short stacking energy: -43.340 Base-Backbone interact. energy: -0.245 local terms energy: -59.396038 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -17.542 flat angles C4'-P-C4' energy: -14.835 flat angles P-C4'-P energy: -5.631 tors. eta vs tors. theta energy: -7.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -114.518066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.518066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.518066 (E_RNA) where: Base-Base interactions energy: -60.214 where: short stacking energy: -38.625 Base-Backbone interact. energy: -0.287 local terms energy: -54.016616 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -18.985 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -95.952517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.952517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.952517 (E_RNA) where: Base-Base interactions energy: -40.701 where: short stacking energy: -40.701 Base-Backbone interact. energy: -0.222 local terms energy: -55.029870 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -281.204274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.204274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.204274 (E_RNA) where: Base-Base interactions energy: -200.777 where: short stacking energy: -81.748 Base-Backbone interact. energy: -0.361 local terms energy: -80.065502 where: bonds (distance) C4'-P energy: -16.483 bonds (distance) P-C4' energy: -18.079 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -20.544 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: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -278.634525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.634525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.634525 (E_RNA) where: Base-Base interactions energy: -189.425 where: short stacking energy: -71.765 Base-Backbone interact. energy: -1.539 local terms energy: -87.670796 where: bonds (distance) C4'-P energy: -19.226 bonds (distance) P-C4' energy: -19.528 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -14.001 tors. eta vs tors. theta energy: -20.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -269.919564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.919564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.919564 (E_RNA) where: Base-Base interactions energy: -199.744 where: short stacking energy: -77.028 Base-Backbone interact. energy: -1.806 local terms energy: -68.369596 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -19.743 flat angles C4'-P-C4' energy: -16.540 flat angles P-C4'-P energy: -7.613 tors. eta vs tors. theta energy: -11.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -262.024693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.024693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.024693 (E_RNA) where: Base-Base interactions energy: -186.307 where: short stacking energy: -82.864 Base-Backbone interact. energy: -0.436 local terms energy: -75.281038 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -17.995 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -19.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -226.640789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.640789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.640789 (E_RNA) where: Base-Base interactions energy: -151.425 where: short stacking energy: -87.108 Base-Backbone interact. energy: -0.017 local terms energy: -75.198184 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -16.454 flat angles P-C4'-P energy: -13.822 tors. eta vs tors. theta energy: -18.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -196.555379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.555379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.555379 (E_RNA) where: Base-Base interactions energy: -128.848 where: short stacking energy: -60.343 Base-Backbone interact. energy: -1.219 local terms energy: -66.487982 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -13.886 flat angles C4'-P-C4' energy: -15.780 flat angles P-C4'-P energy: -12.546 tors. eta vs tors. theta energy: -10.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -213.522399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.522399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.522399 (E_RNA) where: Base-Base interactions energy: -143.475 where: short stacking energy: -61.423 Base-Backbone interact. energy: -0.465 local terms energy: -69.582146 where: bonds (distance) C4'-P energy: -16.215 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -17.811 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -11.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -203.847376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.847376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.847376 (E_RNA) where: Base-Base interactions energy: -135.726 where: short stacking energy: -68.372 Base-Backbone interact. energy: -0.052 local terms energy: -68.069408 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -14.733 tors. eta vs tors. theta energy: -13.650 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: 9, replica: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -90.679365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.679365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.679365 (E_RNA) where: Base-Base interactions energy: -44.587 where: short stacking energy: -35.519 Base-Backbone interact. energy: -0.427 local terms energy: -45.665325 where: bonds (distance) C4'-P energy: -18.186 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -113.717630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.717630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.717630 (E_RNA) where: Base-Base interactions energy: -55.549 where: short stacking energy: -33.469 Base-Backbone interact. energy: -0.123 local terms energy: -58.046219 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -12.363 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -286.246444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.246444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.246444 (E_RNA) where: Base-Base interactions energy: -200.403 where: short stacking energy: -82.302 Base-Backbone interact. energy: 0.891 local terms energy: -86.734312 where: bonds (distance) C4'-P energy: -15.959 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -16.748 flat angles P-C4'-P energy: -14.774 tors. eta vs tors. theta energy: -22.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -272.798482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.798482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.798482 (E_RNA) where: Base-Base interactions energy: -196.954 where: short stacking energy: -75.494 Base-Backbone interact. energy: -0.227 local terms energy: -75.617272 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -17.561 flat angles C4'-P-C4' energy: -17.158 flat angles P-C4'-P energy: -11.931 tors. eta vs tors. theta energy: -15.853 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: 71 Temperature: 1.000000 Total energy: -273.357929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.357929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.357929 (E_RNA) where: Base-Base interactions energy: -195.998 where: short stacking energy: -84.023 Base-Backbone interact. energy: -0.249 local terms energy: -77.110588 where: bonds (distance) C4'-P energy: -17.528 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -16.100 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -17.564 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: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -264.266686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.266686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.266686 (E_RNA) where: Base-Base interactions energy: -183.842 where: short stacking energy: -85.069 Base-Backbone interact. energy: -0.399 local terms energy: -80.025751 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -18.400 flat angles P-C4'-P energy: -13.327 tors. eta vs tors. theta energy: -20.130 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: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -210.203917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.203917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.203917 (E_RNA) where: Base-Base interactions energy: -133.685 where: short stacking energy: -66.782 Base-Backbone interact. energy: -0.669 local terms energy: -75.849494 where: bonds (distance) C4'-P energy: -14.590 bonds (distance) P-C4' energy: -18.194 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -11.354 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -203.906639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.906639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.906639 (E_RNA) where: Base-Base interactions energy: -143.371 where: short stacking energy: -68.915 Base-Backbone interact. energy: -0.448 local terms energy: -60.086816 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -17.875 flat angles C4'-P-C4' energy: -10.965 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -12.262 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: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -214.316015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.316015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.316015 (E_RNA) where: Base-Base interactions energy: -147.108 where: short stacking energy: -81.948 Base-Backbone interact. energy: -0.410 local terms energy: -66.798686 where: bonds (distance) C4'-P energy: -10.429 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -18.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -213.983624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.983624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.983624 (E_RNA) where: Base-Base interactions energy: -136.460 where: short stacking energy: -65.875 Base-Backbone interact. energy: -0.018 local terms energy: -77.506499 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -17.139 flat angles P-C4'-P energy: -12.131 tors. eta vs tors. theta energy: -18.885 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: 4 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -114.513267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.513267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.513267 (E_RNA) where: Base-Base interactions energy: -70.722 where: short stacking energy: -40.121 Base-Backbone interact. energy: 1.915 local terms energy: -45.706541 where: bonds (distance) C4'-P energy: -6.668 bonds (distance) P-C4' energy: -11.561 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -12.976 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: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -105.822502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.822502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.822502 (E_RNA) where: Base-Base interactions energy: -50.994 where: short stacking energy: -41.808 Base-Backbone interact. energy: 1.044 local terms energy: -55.872466 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -12.640 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: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -271.703611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.703611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.703611 (E_RNA) where: Base-Base interactions energy: -198.094 where: short stacking energy: -80.395 Base-Backbone interact. energy: -0.318 local terms energy: -73.291738 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -15.119 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -11.565 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -286.391320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.391320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.391320 (E_RNA) where: Base-Base interactions energy: -206.380 where: short stacking energy: -84.127 Base-Backbone interact. energy: -0.124 local terms energy: -79.886834 where: bonds (distance) C4'-P energy: -16.948 bonds (distance) P-C4' energy: -16.263 flat angles C4'-P-C4' energy: -18.313 flat angles P-C4'-P energy: -11.161 tors. eta vs tors. theta energy: -17.202 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: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -280.176032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.176032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.176032 (E_RNA) where: Base-Base interactions energy: -200.544 where: short stacking energy: -86.468 Base-Backbone interact. energy: -1.037 local terms energy: -78.594949 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -14.925 tors. eta vs tors. theta energy: -20.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -270.568896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.568896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.568896 (E_RNA) where: Base-Base interactions energy: -185.182 where: short stacking energy: -82.936 Base-Backbone interact. energy: -1.108 local terms energy: -84.278822 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -17.851 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -15.898 tors. eta vs tors. theta energy: -19.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -192.893411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.893411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.893411 (E_RNA) where: Base-Base interactions energy: -137.286 where: short stacking energy: -64.683 Base-Backbone interact. energy: -0.825 local terms energy: -54.781981 where: bonds (distance) C4'-P energy: -15.748 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -222.246915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.246915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.246915 (E_RNA) where: Base-Base interactions energy: -143.930 where: short stacking energy: -69.009 Base-Backbone interact. energy: -0.001 local terms energy: -78.316629 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -17.639 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -14.492 tors. eta vs tors. theta energy: -19.467 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: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -211.525656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.525656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.525656 (E_RNA) where: Base-Base interactions energy: -142.361 where: short stacking energy: -67.812 Base-Backbone interact. energy: -0.101 local terms energy: -69.064194 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -19.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -203.087926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.087926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.087926 (E_RNA) where: Base-Base interactions energy: -137.356 where: short stacking energy: -71.890 Base-Backbone interact. energy: -0.002 local terms energy: -65.729364 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -9.661 tors. eta vs tors. theta energy: -16.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -117.145077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.145077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.145077 (E_RNA) where: Base-Base interactions energy: -56.535 where: short stacking energy: -42.236 Base-Backbone interact. energy: -0.175 local terms energy: -60.435428 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -17.100 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -120.161675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.161675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.161675 (E_RNA) where: Base-Base interactions energy: -62.426 where: short stacking energy: -46.798 Base-Backbone interact. energy: -0.213 local terms energy: -57.523484 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -18.262 flat angles C4'-P-C4' energy: -12.634 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -275.218252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.218252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.218252 (E_RNA) where: Base-Base interactions energy: -201.850 where: short stacking energy: -81.891 Base-Backbone interact. energy: -0.375 local terms energy: -72.992513 where: bonds (distance) C4'-P energy: -18.286 bonds (distance) P-C4' energy: -17.074 flat angles C4'-P-C4' energy: -16.926 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -12.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -284.312863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.312863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.312863 (E_RNA) where: Base-Base interactions energy: -211.456 where: short stacking energy: -90.623 Base-Backbone interact. energy: 0.343 local terms energy: -73.199267 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -12.414 tors. eta vs tors. theta energy: -17.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -282.821200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.821200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.821200 (E_RNA) where: Base-Base interactions energy: -208.293 where: short stacking energy: -80.954 Base-Backbone interact. energy: -0.225 local terms energy: -74.303501 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -19.167 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -16.974 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: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -188.171324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.171324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.171324 (E_RNA) where: Base-Base interactions energy: -126.788 where: short stacking energy: -59.569 Base-Backbone interact. energy: -0.224 local terms energy: -61.158700 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -15.753 flat angles C4'-P-C4' energy: -16.829 flat angles P-C4'-P energy: -8.880 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: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -262.745050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.745050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.745050 (E_RNA) where: Base-Base interactions energy: -190.419 where: short stacking energy: -89.623 Base-Backbone interact. energy: -0.256 local terms energy: -72.070994 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -12.593 flat angles C4'-P-C4' energy: -17.311 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -19.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -216.714476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.714476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.714476 (E_RNA) where: Base-Base interactions energy: -145.906 where: short stacking energy: -71.984 Base-Backbone interact. energy: 0.097 local terms energy: -70.905601 where: bonds (distance) C4'-P energy: -16.505 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -17.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -200.264435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.264435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.264435 (E_RNA) where: Base-Base interactions energy: -132.797 where: short stacking energy: -58.151 Base-Backbone interact. energy: -0.440 local terms energy: -67.026661 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -17.405 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -11.079 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: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -189.623865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.623865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.623865 (E_RNA) where: Base-Base interactions energy: -120.280 where: short stacking energy: -65.082 Base-Backbone interact. energy: -0.738 local terms energy: -68.606441 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -16.305 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -13.463 tors. eta vs tors. theta energy: -15.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -103.138609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.138609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.138609 (E_RNA) where: Base-Base interactions energy: -44.961 where: short stacking energy: -43.205 Base-Backbone interact. energy: -0.036 local terms energy: -58.140932 where: bonds (distance) C4'-P energy: -17.246 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -15.075 flat angles P-C4'-P energy: -8.620 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: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -144.354501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.354501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.354501 (E_RNA) where: Base-Base interactions energy: -91.188 where: short stacking energy: -47.635 Base-Backbone interact. energy: -0.061 local terms energy: -53.105346 where: bonds (distance) C4'-P energy: -9.717 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -9.066 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -282.756191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.756191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.756191 (E_RNA) where: Base-Base interactions energy: -207.849 where: short stacking energy: -88.360 Base-Backbone interact. energy: -0.126 local terms energy: -74.781327 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -17.625 flat angles C4'-P-C4' energy: -16.029 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -19.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -266.311683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.311683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.311683 (E_RNA) where: Base-Base interactions energy: -196.928 where: short stacking energy: -75.403 Base-Backbone interact. energy: -0.338 local terms energy: -69.046100 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -13.428 tors. eta vs tors. theta energy: -12.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -282.557042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.557042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.557042 (E_RNA) where: Base-Base interactions energy: -203.368 where: short stacking energy: -78.050 Base-Backbone interact. energy: 0.139 local terms energy: -79.328093 where: bonds (distance) C4'-P energy: -15.399 bonds (distance) P-C4' energy: -16.711 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -12.997 tors. eta vs tors. theta energy: -17.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -191.097026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.097026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.097026 (E_RNA) where: Base-Base interactions energy: -125.394 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.295 local terms energy: -65.407208 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -15.186 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -13.184 tors. eta vs tors. theta energy: -12.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -257.897675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.897675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.897675 (E_RNA) where: Base-Base interactions energy: -180.024 where: short stacking energy: -75.026 Base-Backbone interact. energy: -0.117 local terms energy: -77.756172 where: bonds (distance) C4'-P energy: -17.554 bonds (distance) P-C4' energy: -12.695 flat angles C4'-P-C4' energy: -18.306 flat angles P-C4'-P energy: -11.242 tors. eta vs tors. theta energy: -17.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -215.611004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.611004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.611004 (E_RNA) where: Base-Base interactions energy: -140.301 where: short stacking energy: -69.873 Base-Backbone interact. energy: -0.190 local terms energy: -75.120555 where: bonds (distance) C4'-P energy: -17.052 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -18.108 flat angles P-C4'-P energy: -12.718 tors. eta vs tors. theta energy: -14.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -200.340446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.340446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.340446 (E_RNA) where: Base-Base interactions energy: -125.361 where: short stacking energy: -70.179 Base-Backbone interact. energy: -0.031 local terms energy: -74.948875 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -17.161 flat angles P-C4'-P energy: -14.894 tors. eta vs tors. theta energy: -16.717 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: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -161.698712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.698712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.698712 (E_RNA) where: Base-Base interactions energy: -111.844 where: short stacking energy: -56.326 Base-Backbone interact. energy: 0.012 local terms energy: -49.866679 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -5.082 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: 9, replica: 4 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -126.078863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.078863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.078863 (E_RNA) where: Base-Base interactions energy: -69.878 where: short stacking energy: -44.301 Base-Backbone interact. energy: 0.780 local terms energy: -56.981143 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -15.817 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -11.410 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: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -124.324481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.324481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.324481 (E_RNA) where: Base-Base interactions energy: -76.217 where: short stacking energy: -43.939 Base-Backbone interact. energy: 1.228 local terms energy: -49.334609 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -2.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -288.442977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.442977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.442977 (E_RNA) where: Base-Base interactions energy: -200.720 where: short stacking energy: -88.573 Base-Backbone interact. energy: -0.096 local terms energy: -87.626797 where: bonds (distance) C4'-P energy: -18.009 bonds (distance) P-C4' energy: -20.007 flat angles C4'-P-C4' energy: -15.871 flat angles P-C4'-P energy: -13.138 tors. eta vs tors. theta energy: -20.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -274.051197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.051197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.051197 (E_RNA) where: Base-Base interactions energy: -193.995 where: short stacking energy: -78.554 Base-Backbone interact. energy: -0.149 local terms energy: -79.907513 where: bonds (distance) C4'-P energy: -17.093 bonds (distance) P-C4' energy: -17.312 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -17.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -265.190751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.190751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.190751 (E_RNA) where: Base-Base interactions energy: -192.880 where: short stacking energy: -72.252 Base-Backbone interact. energy: 1.797 local terms energy: -74.108146 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -17.890 flat angles C4'-P-C4' energy: -17.064 flat angles P-C4'-P energy: -12.670 tors. eta vs tors. theta energy: -11.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -265.668960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.668960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.668960 (E_RNA) where: Base-Base interactions energy: -184.804 where: short stacking energy: -83.673 Base-Backbone interact. energy: -0.119 local terms energy: -80.745430 where: bonds (distance) C4'-P energy: -15.615 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -16.980 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -21.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -204.810887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.810887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.810887 (E_RNA) where: Base-Base interactions energy: -138.854 where: short stacking energy: -68.300 Base-Backbone interact. energy: -0.491 local terms energy: -65.466199 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -17.216 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -14.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -213.036169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.036169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.036169 (E_RNA) where: Base-Base interactions energy: -144.742 where: short stacking energy: -67.587 Base-Backbone interact. energy: -0.012 local terms energy: -68.282637 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -12.818 tors. eta vs tors. theta energy: -14.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -197.855228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.855228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.855228 (E_RNA) where: Base-Base interactions energy: -134.674 where: short stacking energy: -57.523 Base-Backbone interact. energy: -0.275 local terms energy: -62.906541 where: bonds (distance) C4'-P energy: -8.606 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -14.449 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: 4 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -148.685759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.685759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.685759 (E_RNA) where: Base-Base interactions energy: -81.062 where: short stacking energy: -50.079 Base-Backbone interact. energy: 0.702 local terms energy: -68.326505 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -16.695 flat angles C4'-P-C4' energy: -18.495 flat angles P-C4'-P energy: -14.915 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -103.605200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.605200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.605200 (E_RNA) where: Base-Base interactions energy: -47.333 where: short stacking energy: -41.885 Base-Backbone interact. energy: -0.171 local terms energy: -56.101438 where: bonds (distance) C4'-P energy: -15.426 bonds (distance) P-C4' energy: -15.102 flat angles C4'-P-C4' energy: -10.170 flat angles P-C4'-P energy: -8.140 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -114.505701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.505701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.505701 (E_RNA) where: Base-Base interactions energy: -81.854 where: short stacking energy: -42.405 Base-Backbone interact. energy: -0.431 local terms energy: -32.220627 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -10.565 flat angles C4'-P-C4' energy: -11.037 flat angles P-C4'-P energy: 4.206 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: 1, replica: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -287.379141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.379141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.379141 (E_RNA) where: Base-Base interactions energy: -199.978 where: short stacking energy: -83.974 Base-Backbone interact. energy: -0.055 local terms energy: -87.346252 where: bonds (distance) C4'-P energy: -17.074 bonds (distance) P-C4' energy: -19.510 flat angles C4'-P-C4' energy: -17.335 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -22.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -280.210238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.210238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.210238 (E_RNA) where: Base-Base interactions energy: -197.044 where: short stacking energy: -81.104 Base-Backbone interact. energy: -0.184 local terms energy: -82.981429 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -19.017 flat angles C4'-P-C4' energy: -16.620 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -20.103 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: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -268.292948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.292948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.292948 (E_RNA) where: Base-Base interactions energy: -190.549 where: short stacking energy: -82.221 Base-Backbone interact. energy: -0.271 local terms energy: -77.472871 where: bonds (distance) C4'-P energy: -14.882 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -20.434 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: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -269.427341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.427341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.427341 (E_RNA) where: Base-Base interactions energy: -192.866 where: short stacking energy: -78.239 Base-Backbone interact. energy: -1.334 local terms energy: -75.227680 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -17.346 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -13.373 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -233.391740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.391740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.391740 (E_RNA) where: Base-Base interactions energy: -158.402 where: short stacking energy: -72.060 Base-Backbone interact. energy: 0.120 local terms energy: -75.110026 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -17.188 flat angles C4'-P-C4' energy: -18.085 flat angles P-C4'-P energy: -12.543 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -186.606149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.606149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.606149 (E_RNA) where: Base-Base interactions energy: -128.215 where: short stacking energy: -56.064 Base-Backbone interact. energy: 0.252 local terms energy: -58.642759 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -10.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -208.986479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.986479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.986479 (E_RNA) where: Base-Base interactions energy: -140.495 where: short stacking energy: -62.621 Base-Backbone interact. energy: 1.628 local terms energy: -70.119574 where: bonds (distance) C4'-P energy: -18.418 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -16.130 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -9.672 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: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -105.793279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.793279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.793279 (E_RNA) where: Base-Base interactions energy: -58.553 where: short stacking energy: -25.430 Base-Backbone interact. energy: 0.996 local terms energy: -48.235680 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -13.101 tors. eta vs tors. theta energy: 2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -98.579223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.579223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.579223 (E_RNA) where: Base-Base interactions energy: -56.774 where: short stacking energy: -31.859 Base-Backbone interact. energy: -0.236 local terms energy: -41.568591 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: 1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -106.639933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.639933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.639933 (E_RNA) where: Base-Base interactions energy: -54.726 where: short stacking energy: -35.349 Base-Backbone interact. energy: -0.145 local terms energy: -51.769737 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -8.395 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -12.825 tors. eta vs tors. theta energy: -7.537 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: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -280.217102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.217102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.217102 (E_RNA) where: Base-Base interactions energy: -209.167 where: short stacking energy: -85.729 Base-Backbone interact. energy: -0.105 local terms energy: -70.945839 where: bonds (distance) C4'-P energy: -15.673 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -15.772 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -17.074 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: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -278.381226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.381226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.381226 (E_RNA) where: Base-Base interactions energy: -196.943 where: short stacking energy: -84.244 Base-Backbone interact. energy: 0.723 local terms energy: -82.161872 where: bonds (distance) C4'-P energy: -15.542 bonds (distance) P-C4' energy: -18.516 flat angles C4'-P-C4' energy: -16.237 flat angles P-C4'-P energy: -12.359 tors. eta vs tors. theta energy: -19.508 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: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -272.398891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.398891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.398891 (E_RNA) where: Base-Base interactions energy: -195.150 where: short stacking energy: -89.497 Base-Backbone interact. energy: -0.719 local terms energy: -76.529745 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -19.286 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -17.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -261.658232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.658232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.658232 (E_RNA) where: Base-Base interactions energy: -191.684 where: short stacking energy: -68.168 Base-Backbone interact. energy: -0.206 local terms energy: -69.768424 where: bonds (distance) C4'-P energy: -18.053 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -11.381 tors. eta vs tors. theta energy: -11.408 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: 5, replica: 10 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -235.990988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.990988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.990988 (E_RNA) where: Base-Base interactions energy: -157.272 where: short stacking energy: -83.979 Base-Backbone interact. energy: -0.011 local terms energy: -78.707925 where: bonds (distance) C4'-P energy: -15.131 bonds (distance) P-C4' energy: -17.222 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -18.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -213.552048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.552048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.552048 (E_RNA) where: Base-Base interactions energy: -131.441 where: short stacking energy: -69.213 Base-Backbone interact. energy: -0.036 local terms energy: -82.074765 where: bonds (distance) C4'-P energy: -17.246 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -16.888 flat angles P-C4'-P energy: -11.226 tors. eta vs tors. theta energy: -19.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -203.373890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.373890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.373890 (E_RNA) where: Base-Base interactions energy: -133.477 where: short stacking energy: -65.766 Base-Backbone interact. energy: 0.995 local terms energy: -70.892231 where: bonds (distance) C4'-P energy: -16.079 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -18.233 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -13.779 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: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -128.781491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.781491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.781491 (E_RNA) where: Base-Base interactions energy: -68.096 where: short stacking energy: -46.638 Base-Backbone interact. energy: 0.910 local terms energy: -61.595570 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -18.833 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -5.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -140.011071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.011071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.011071 (E_RNA) where: Base-Base interactions energy: -79.992 where: short stacking energy: -40.543 Base-Backbone interact. energy: -0.772 local terms energy: -59.247268 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -10.868 flat angles P-C4'-P energy: -10.857 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: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -98.769833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.769833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.769833 (E_RNA) where: Base-Base interactions energy: -40.813 where: short stacking energy: -40.340 Base-Backbone interact. energy: -0.164 local terms energy: -57.792878 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -17.460 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -287.759339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.759339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.759339 (E_RNA) where: Base-Base interactions energy: -206.808 where: short stacking energy: -83.596 Base-Backbone interact. energy: -0.171 local terms energy: -80.780219 where: bonds (distance) C4'-P energy: -16.966 bonds (distance) P-C4' energy: -17.116 flat angles C4'-P-C4' energy: -20.134 flat angles P-C4'-P energy: -11.913 tors. eta vs tors. theta energy: -14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -281.197139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.197139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.197139 (E_RNA) where: Base-Base interactions energy: -201.726 where: short stacking energy: -82.398 Base-Backbone interact. energy: -0.147 local terms energy: -79.323237 where: bonds (distance) C4'-P energy: -16.413 bonds (distance) P-C4' energy: -17.479 flat angles C4'-P-C4' energy: -18.205 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -18.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -264.603699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.603699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.603699 (E_RNA) where: Base-Base interactions energy: -192.857 where: short stacking energy: -83.641 Base-Backbone interact. energy: 0.377 local terms energy: -72.124012 where: bonds (distance) C4'-P energy: -16.994 bonds (distance) P-C4' energy: -17.476 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -11.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -263.707943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.707943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.707943 (E_RNA) where: Base-Base interactions energy: -184.667 where: short stacking energy: -85.288 Base-Backbone interact. energy: 0.178 local terms energy: -79.219159 where: bonds (distance) C4'-P energy: -16.058 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -19.616 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -17.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -228.695558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.695558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.695558 (E_RNA) where: Base-Base interactions energy: -147.659 where: short stacking energy: -73.137 Base-Backbone interact. energy: -0.002 local terms energy: -81.035348 where: bonds (distance) C4'-P energy: -16.465 bonds (distance) P-C4' energy: -17.592 flat angles C4'-P-C4' energy: -19.580 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -19.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -229.235316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.235316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.235316 (E_RNA) where: Base-Base interactions energy: -155.231 where: short stacking energy: -77.943 Base-Backbone interact. energy: -0.001 local terms energy: -74.003357 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -17.877 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -19.331 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: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -193.111445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.111445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.111445 (E_RNA) where: Base-Base interactions energy: -129.512 where: short stacking energy: -66.682 Base-Backbone interact. energy: 2.517 local terms energy: -66.116051 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -15.551 flat angles P-C4'-P energy: -11.157 tors. eta vs tors. theta energy: -10.886 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: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -115.430758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.430758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.430758 (E_RNA) where: Base-Base interactions energy: -52.996 where: short stacking energy: -52.517 Base-Backbone interact. energy: -0.115 local terms energy: -62.319856 where: bonds (distance) C4'-P energy: -15.279 bonds (distance) P-C4' energy: -10.004 flat angles C4'-P-C4' energy: -17.826 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -9.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -96.665567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.665567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.665567 (E_RNA) where: Base-Base interactions energy: -42.624 where: short stacking energy: -41.457 Base-Backbone interact. energy: -0.017 local terms energy: -54.024465 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -11.029 flat angles P-C4'-P energy: -13.135 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: 10, replica: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -97.029298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.029298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.029298 (E_RNA) where: Base-Base interactions energy: -47.572 where: short stacking energy: -47.572 Base-Backbone interact. energy: -0.130 local terms energy: -49.327019 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -8.219 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: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -282.079089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.079089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.079089 (E_RNA) where: Base-Base interactions energy: -205.844 where: short stacking energy: -80.885 Base-Backbone interact. energy: 1.463 local terms energy: -77.698076 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -19.475 flat angles C4'-P-C4' energy: -16.159 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -20.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -268.172928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.172928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.172928 (E_RNA) where: Base-Base interactions energy: -193.285 where: short stacking energy: -78.235 Base-Backbone interact. energy: -1.180 local terms energy: -73.707380 where: bonds (distance) C4'-P energy: -16.301 bonds (distance) P-C4' energy: -17.725 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -16.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -273.313243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.313243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.313243 (E_RNA) where: Base-Base interactions energy: -194.433 where: short stacking energy: -81.529 Base-Backbone interact. energy: -0.155 local terms energy: -78.725120 where: bonds (distance) C4'-P energy: -17.717 bonds (distance) P-C4' energy: -16.182 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -22.025 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: 8 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -279.292732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.292732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.292732 (E_RNA) where: Base-Base interactions energy: -200.986 where: short stacking energy: -84.973 Base-Backbone interact. energy: -0.659 local terms energy: -77.647182 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -16.847 flat angles C4'-P-C4' energy: -18.226 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -21.065 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: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -233.733969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.733969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.733969 (E_RNA) where: Base-Base interactions energy: -156.821 where: short stacking energy: -67.769 Base-Backbone interact. energy: 0.328 local terms energy: -77.240955 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -18.019 flat angles C4'-P-C4' energy: -18.222 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -13.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -221.206932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.206932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.206932 (E_RNA) where: Base-Base interactions energy: -149.023 where: short stacking energy: -74.489 Base-Backbone interact. energy: -0.001 local terms energy: -72.183020 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -17.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -180.940134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.940134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.940134 (E_RNA) where: Base-Base interactions energy: -118.079 where: short stacking energy: -59.329 Base-Backbone interact. energy: -0.250 local terms energy: -62.611406 where: bonds (distance) C4'-P energy: -11.617 bonds (distance) P-C4' energy: -17.505 flat angles C4'-P-C4' energy: -16.601 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -12.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -138.701203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.701203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.701203 (E_RNA) where: Base-Base interactions energy: -71.540 where: short stacking energy: -51.563 Base-Backbone interact. energy: -0.141 local terms energy: -67.020479 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -15.835 flat angles C4'-P-C4' energy: -18.850 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -9.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -98.780620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.780620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.780620 (E_RNA) where: Base-Base interactions energy: -43.775 where: short stacking energy: -43.775 Base-Backbone interact. energy: -0.054 local terms energy: -54.952239 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -13.586 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -8.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -88.781614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.781614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.781614 (E_RNA) where: Base-Base interactions energy: -42.416 where: short stacking energy: -41.509 Base-Backbone interact. energy: -0.833 local terms energy: -45.532023 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -11.184 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -7.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -290.135468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.135468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.135468 (E_RNA) where: Base-Base interactions energy: -204.191 where: short stacking energy: -82.072 Base-Backbone interact. energy: -0.831 local terms energy: -85.113088 where: bonds (distance) C4'-P energy: -17.254 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -18.165 flat angles P-C4'-P energy: -12.402 tors. eta vs tors. theta energy: -20.723 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: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -267.520065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.520065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.520065 (E_RNA) where: Base-Base interactions energy: -200.929 where: short stacking energy: -77.134 Base-Backbone interact. energy: 0.343 local terms energy: -66.933687 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -15.781 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -12.759 tors. eta vs tors. theta energy: -12.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -277.114980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.114980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.114980 (E_RNA) where: Base-Base interactions energy: -204.376 where: short stacking energy: -89.085 Base-Backbone interact. energy: 0.251 local terms energy: -72.989647 where: bonds (distance) C4'-P energy: -15.654 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -19.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -263.814892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.814892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.814892 (E_RNA) where: Base-Base interactions energy: -189.095 where: short stacking energy: -81.181 Base-Backbone interact. energy: -0.118 local terms energy: -74.601998 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -16.754 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -12.889 tors. eta vs tors. theta energy: -16.990 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: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -221.992589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.992589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.992589 (E_RNA) where: Base-Base interactions energy: -151.521 where: short stacking energy: -77.686 Base-Backbone interact. energy: -0.003 local terms energy: -70.469062 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -20.645 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: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -212.097261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.097261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.097261 (E_RNA) where: Base-Base interactions energy: -141.295 where: short stacking energy: -69.289 Base-Backbone interact. energy: -0.137 local terms energy: -70.665243 where: bonds (distance) C4'-P energy: -8.490 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -161.595114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.595114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.595114 (E_RNA) where: Base-Base interactions energy: -100.830 where: short stacking energy: -56.641 Base-Backbone interact. energy: -0.401 local terms energy: -60.363410 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -16.621 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -11.751 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: 3 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -183.325210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.325210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.325210 (E_RNA) where: Base-Base interactions energy: -118.806 where: short stacking energy: -65.526 Base-Backbone interact. energy: 0.916 local terms energy: -65.435055 where: bonds (distance) C4'-P energy: -9.949 bonds (distance) P-C4' energy: -12.086 flat angles C4'-P-C4' energy: -18.307 flat angles P-C4'-P energy: -12.012 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -121.784915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.784915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.784915 (E_RNA) where: Base-Base interactions energy: -67.780 where: short stacking energy: -39.670 Base-Backbone interact. energy: -0.359 local terms energy: -53.646266 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -93.693825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.693825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.693825 (E_RNA) where: Base-Base interactions energy: -40.998 where: short stacking energy: -34.172 Base-Backbone interact. energy: -0.801 local terms energy: -51.895137 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -18.704 flat angles C4'-P-C4' energy: -11.395 flat angles P-C4'-P energy: -6.181 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: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -289.215405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.215405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.215405 (E_RNA) where: Base-Base interactions energy: -207.417 where: short stacking energy: -84.529 Base-Backbone interact. energy: -0.417 local terms energy: -81.380875 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -17.947 flat angles C4'-P-C4' energy: -18.083 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -21.576 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -281.475812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.475812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.475812 (E_RNA) where: Base-Base interactions energy: -205.190 where: short stacking energy: -81.649 Base-Backbone interact. energy: -0.510 local terms energy: -75.776067 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -15.986 flat angles C4'-P-C4' energy: -17.256 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -15.074 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: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -292.641129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.641129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.641129 (E_RNA) where: Base-Base interactions energy: -209.106 where: short stacking energy: -90.252 Base-Backbone interact. energy: -0.228 local terms energy: -83.306711 where: bonds (distance) C4'-P energy: -16.124 bonds (distance) P-C4' energy: -18.322 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: -23.341 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -269.673743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.673743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.673743 (E_RNA) where: Base-Base interactions energy: -189.719 where: short stacking energy: -78.418 Base-Backbone interact. energy: -0.127 local terms energy: -79.827851 where: bonds (distance) C4'-P energy: -14.141 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -17.048 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -21.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -236.105994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.105994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.105994 (E_RNA) where: Base-Base interactions energy: -152.208 where: short stacking energy: -81.505 Base-Backbone interact. energy: -0.061 local terms energy: -83.837433 where: bonds (distance) C4'-P energy: -17.312 bonds (distance) P-C4' energy: -15.757 flat angles C4'-P-C4' energy: -19.122 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -19.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -211.785871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.785871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.785871 (E_RNA) where: Base-Base interactions energy: -137.958 where: short stacking energy: -69.903 Base-Backbone interact. energy: -0.020 local terms energy: -73.807127 where: bonds (distance) C4'-P energy: -17.077 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -19.202 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: 7, replica: 2 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -153.158509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.158509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.158509 (E_RNA) where: Base-Base interactions energy: -95.321 where: short stacking energy: -40.629 Base-Backbone interact. energy: -0.941 local terms energy: -56.896482 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -9.419 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: 8, replica: 3 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -183.879586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.879586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.879586 (E_RNA) where: Base-Base interactions energy: -118.155 where: short stacking energy: -44.737 Base-Backbone interact. energy: -0.069 local terms energy: -65.655587 where: bonds (distance) C4'-P energy: -17.999 bonds (distance) P-C4' energy: -17.308 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -7.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -112.366214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.366214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.366214 (E_RNA) where: Base-Base interactions energy: -64.362 where: short stacking energy: -30.553 Base-Backbone interact. energy: -0.150 local terms energy: -47.854074 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -9.429 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -7.653 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: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -92.727493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.727493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.727493 (E_RNA) where: Base-Base interactions energy: -42.067 where: short stacking energy: -42.067 Base-Backbone interact. energy: -0.228 local terms energy: -50.432488 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -18.075 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: 1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -283.586592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.586592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.586592 (E_RNA) where: Base-Base interactions energy: -202.995 where: short stacking energy: -88.926 Base-Backbone interact. energy: -0.552 local terms energy: -80.039891 where: bonds (distance) C4'-P energy: -15.047 bonds (distance) P-C4' energy: -16.124 flat angles C4'-P-C4' energy: -18.092 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -21.166 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: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -281.087765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.087765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.087765 (E_RNA) where: Base-Base interactions energy: -199.783 where: short stacking energy: -81.486 Base-Backbone interact. energy: -0.437 local terms energy: -80.868719 where: bonds (distance) C4'-P energy: -17.797 bonds (distance) P-C4' energy: -16.825 flat angles C4'-P-C4' energy: -15.939 flat angles P-C4'-P energy: -14.282 tors. eta vs tors. theta energy: -16.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -278.399353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.399353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.399353 (E_RNA) where: Base-Base interactions energy: -195.282 where: short stacking energy: -81.222 Base-Backbone interact. energy: -0.477 local terms energy: -82.639645 where: bonds (distance) C4'-P energy: -17.048 bonds (distance) P-C4' energy: -18.730 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -13.652 tors. eta vs tors. theta energy: -16.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -274.223938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.223938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.223938 (E_RNA) where: Base-Base interactions energy: -194.092 where: short stacking energy: -82.627 Base-Backbone interact. energy: -0.277 local terms energy: -79.855396 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -15.867 flat angles C4'-P-C4' energy: -16.120 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -20.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -216.243562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.243562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.243562 (E_RNA) where: Base-Base interactions energy: -141.514 where: short stacking energy: -67.665 Base-Backbone interact. energy: -0.327 local terms energy: -74.402741 where: bonds (distance) C4'-P energy: -13.954 bonds (distance) P-C4' energy: -16.337 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -12.634 tors. eta vs tors. theta energy: -17.503 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: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -207.246742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.246742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.246742 (E_RNA) where: Base-Base interactions energy: -132.689 where: short stacking energy: -62.099 Base-Backbone interact. energy: -0.006 local terms energy: -74.552013 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -12.702 tors. eta vs tors. theta energy: -17.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -221.566937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.566937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.566937 (E_RNA) where: Base-Base interactions energy: -152.738 where: short stacking energy: -72.148 Base-Backbone interact. energy: -0.289 local terms energy: -68.539206 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -17.095 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -16.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -142.821128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.821128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.821128 (E_RNA) where: Base-Base interactions energy: -92.332 where: short stacking energy: -57.756 Base-Backbone interact. energy: -0.090 local terms energy: -50.398965 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -2.115 tors. eta vs tors. theta energy: -8.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -88.894164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.894164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.894164 (E_RNA) where: Base-Base interactions energy: -36.661 where: short stacking energy: -21.612 Base-Backbone interact. energy: -0.349 local terms energy: -51.883857 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -18.715 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -9.981 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: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -96.659490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.659490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.659490 (E_RNA) where: Base-Base interactions energy: -49.288 where: short stacking energy: -31.943 Base-Backbone interact. energy: -0.057 local terms energy: -47.313933 where: bonds (distance) C4'-P energy: -9.393 bonds (distance) P-C4' energy: -15.968 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -8.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -287.103036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.103036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.103036 (E_RNA) where: Base-Base interactions energy: -203.189 where: short stacking energy: -88.619 Base-Backbone interact. energy: 0.031 local terms energy: -83.944688 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -16.789 flat angles C4'-P-C4' energy: -18.284 flat angles P-C4'-P energy: -15.324 tors. eta vs tors. theta energy: -18.655 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: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -278.092006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.092006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.092006 (E_RNA) where: Base-Base interactions energy: -197.151 where: short stacking energy: -79.044 Base-Backbone interact. energy: -0.095 local terms energy: -80.846034 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -20.681 flat angles C4'-P-C4' energy: -18.165 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -16.217 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: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -267.398977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.398977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.398977 (E_RNA) where: Base-Base interactions energy: -198.844 where: short stacking energy: -78.056 Base-Backbone interact. energy: 0.443 local terms energy: -68.998435 where: bonds (distance) C4'-P energy: -15.892 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -14.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -277.091554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.091554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.091554 (E_RNA) where: Base-Base interactions energy: -200.986 where: short stacking energy: -85.693 Base-Backbone interact. energy: -0.117 local terms energy: -75.988640 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -12.432 tors. eta vs tors. theta energy: -21.734 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: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -207.935454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.935454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.935454 (E_RNA) where: Base-Base interactions energy: -135.267 where: short stacking energy: -68.485 Base-Backbone interact. energy: 0.035 local terms energy: -72.703208 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -16.661 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -15.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -215.042265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.042265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.042265 (E_RNA) where: Base-Base interactions energy: -145.269 where: short stacking energy: -71.444 Base-Backbone interact. energy: -0.015 local terms energy: -69.757811 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -15.943 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -18.114 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: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -213.301590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.301590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.301590 (E_RNA) where: Base-Base interactions energy: -133.306 where: short stacking energy: -71.445 Base-Backbone interact. energy: -0.582 local terms energy: -79.414223 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -12.210 tors. eta vs tors. theta energy: -18.220 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: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -106.731911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.731911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.731911 (E_RNA) where: Base-Base interactions energy: -47.472 where: short stacking energy: -46.161 Base-Backbone interact. energy: 0.473 local terms energy: -59.732851 where: bonds (distance) C4'-P energy: -17.289 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -8.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -100.881208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.881208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.881208 (E_RNA) where: Base-Base interactions energy: -42.286 where: short stacking energy: -38.485 Base-Backbone interact. energy: 0.541 local terms energy: -59.136996 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -15.654 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -90.838340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.838340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.838340 (E_RNA) where: Base-Base interactions energy: -38.824 where: short stacking energy: -34.222 Base-Backbone interact. energy: 2.181 local terms energy: -54.195680 where: bonds (distance) C4'-P energy: -14.717 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -16.992 flat angles P-C4'-P energy: -4.220 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: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -281.618870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.618870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.618870 (E_RNA) where: Base-Base interactions energy: -204.673 where: short stacking energy: -81.957 Base-Backbone interact. energy: -0.608 local terms energy: -76.338020 where: bonds (distance) C4'-P energy: -15.739 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -19.304 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -19.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -280.363776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.363776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.363776 (E_RNA) where: Base-Base interactions energy: -200.734 where: short stacking energy: -84.134 Base-Backbone interact. energy: -1.425 local terms energy: -78.205170 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -15.636 flat angles C4'-P-C4' energy: -19.639 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -20.178 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: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -276.727091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.727091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.727091 (E_RNA) where: Base-Base interactions energy: -191.288 where: short stacking energy: -86.646 Base-Backbone interact. energy: -0.796 local terms energy: -84.643012 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -18.223 flat angles C4'-P-C4' energy: -16.945 flat angles P-C4'-P energy: -13.843 tors. eta vs tors. theta energy: -19.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -263.113084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.113084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.113084 (E_RNA) where: Base-Base interactions energy: -191.448 where: short stacking energy: -74.848 Base-Backbone interact. energy: -1.891 local terms energy: -69.774598 where: bonds (distance) C4'-P energy: -18.430 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -8.514 tors. eta vs tors. theta energy: -13.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -217.694013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.694013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.694013 (E_RNA) where: Base-Base interactions energy: -143.105 where: short stacking energy: -67.901 Base-Backbone interact. energy: 0.465 local terms energy: -75.053987 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -17.172 flat angles C4'-P-C4' energy: -17.491 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -14.920 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: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -213.935757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.935757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.935757 (E_RNA) where: Base-Base interactions energy: -148.451 where: short stacking energy: -82.872 Base-Backbone interact. energy: -0.096 local terms energy: -65.388741 where: bonds (distance) C4'-P energy: -14.844 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -15.577 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: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -217.674949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.674949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.674949 (E_RNA) where: Base-Base interactions energy: -153.419 where: short stacking energy: -64.661 Base-Backbone interact. energy: -0.979 local terms energy: -63.276780 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -18.100 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -10.430 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: 9 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -151.421430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.421430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.421430 (E_RNA) where: Base-Base interactions energy: -94.173 where: short stacking energy: -51.590 Base-Backbone interact. energy: -0.007 local terms energy: -57.241274 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -10.927 flat angles C4'-P-C4' energy: -14.737 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -9.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -109.855595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.855595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.855595 (E_RNA) where: Base-Base interactions energy: -57.775 where: short stacking energy: -39.868 Base-Backbone interact. energy: -0.060 local terms energy: -52.020754 where: bonds (distance) C4'-P energy: -8.950 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -102.227073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.227073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.227073 (E_RNA) where: Base-Base interactions energy: -41.056 where: short stacking energy: -35.236 Base-Backbone interact. energy: 1.242 local terms energy: -62.412707 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -6.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -280.453279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.453279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.453279 (E_RNA) where: Base-Base interactions energy: -195.283 where: short stacking energy: -84.532 Base-Backbone interact. energy: -0.170 local terms energy: -85.000125 where: bonds (distance) C4'-P energy: -17.495 bonds (distance) P-C4' energy: -17.756 flat angles C4'-P-C4' energy: -19.158 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -21.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -278.599270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.599270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.599270 (E_RNA) where: Base-Base interactions energy: -200.847 where: short stacking energy: -88.274 Base-Backbone interact. energy: 0.827 local terms energy: -78.579355 where: bonds (distance) C4'-P energy: -16.254 bonds (distance) P-C4' energy: -14.198 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -12.416 tors. eta vs tors. theta energy: -18.410 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: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -279.962863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.962863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.962863 (E_RNA) where: Base-Base interactions energy: -197.685 where: short stacking energy: -80.316 Base-Backbone interact. energy: -0.495 local terms energy: -81.783155 where: bonds (distance) C4'-P energy: -16.569 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -17.733 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -20.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -268.165880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.165880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.165880 (E_RNA) where: Base-Base interactions energy: -200.797 where: short stacking energy: -81.162 Base-Backbone interact. energy: -0.522 local terms energy: -66.846461 where: bonds (distance) C4'-P energy: -14.775 bonds (distance) P-C4' energy: -12.221 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -13.732 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -221.374786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.374786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.374786 (E_RNA) where: Base-Base interactions energy: -150.327 where: short stacking energy: -74.827 Base-Backbone interact. energy: -0.062 local terms energy: -70.985492 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -12.101 tors. eta vs tors. theta energy: -17.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -227.127061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.127061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.127061 (E_RNA) where: Base-Base interactions energy: -143.091 where: short stacking energy: -87.597 Base-Backbone interact. energy: -0.101 local terms energy: -83.935288 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -19.746 flat angles C4'-P-C4' energy: -18.898 flat angles P-C4'-P energy: -14.321 tors. eta vs tors. theta energy: -17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -209.029364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.029364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.029364 (E_RNA) where: Base-Base interactions energy: -150.022 where: short stacking energy: -61.617 Base-Backbone interact. energy: 0.823 local terms energy: -59.829846 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -17.189 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -102.488504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.488504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.488504 (E_RNA) where: Base-Base interactions energy: -45.227 where: short stacking energy: -45.227 Base-Backbone interact. energy: -0.495 local terms energy: -56.766990 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -10.441 flat angles C4'-P-C4' energy: -14.837 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -7.898 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: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -133.164821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.164821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.164821 (E_RNA) where: Base-Base interactions energy: -77.174 where: short stacking energy: -52.148 Base-Backbone interact. energy: -0.125 local terms energy: -55.865417 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -17.954 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -105.888913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.888913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.888913 (E_RNA) where: Base-Base interactions energy: -50.029 where: short stacking energy: -39.562 Base-Backbone interact. energy: -0.222 local terms energy: -55.638574 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -16.760 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -8.839 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: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -281.232817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.232817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.232817 (E_RNA) where: Base-Base interactions energy: -201.127 where: short stacking energy: -88.877 Base-Backbone interact. energy: -0.552 local terms energy: -79.554359 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -17.096 flat angles C4'-P-C4' energy: -17.048 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -21.626 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -283.127488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.127488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.127488 (E_RNA) where: Base-Base interactions energy: -202.664 where: short stacking energy: -90.526 Base-Backbone interact. energy: 1.743 local terms energy: -82.206733 where: bonds (distance) C4'-P energy: -15.716 bonds (distance) P-C4' energy: -16.366 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -14.872 tors. eta vs tors. theta energy: -20.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -267.793594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.793594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.793594 (E_RNA) where: Base-Base interactions energy: -195.549 where: short stacking energy: -75.766 Base-Backbone interact. energy: -1.428 local terms energy: -70.816449 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -12.446 tors. eta vs tors. theta energy: -14.589 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: 4, replica: 6 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -270.114880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.114880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.114880 (E_RNA) where: Base-Base interactions energy: -194.104 where: short stacking energy: -75.953 Base-Backbone interact. energy: 0.230 local terms energy: -76.240968 where: bonds (distance) C4'-P energy: -16.460 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -10.877 flat angles P-C4'-P energy: -13.629 tors. eta vs tors. theta energy: -20.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -230.105609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.105609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.105609 (E_RNA) where: Base-Base interactions energy: -156.538 where: short stacking energy: -79.842 Base-Backbone interact. energy: 0.595 local terms energy: -74.162045 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -18.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -214.059195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.059195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.059195 (E_RNA) where: Base-Base interactions energy: -143.964 where: short stacking energy: -66.526 Base-Backbone interact. energy: -0.077 local terms energy: -70.017872 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -206.397095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.397095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.397095 (E_RNA) where: Base-Base interactions energy: -153.115 where: short stacking energy: -66.658 Base-Backbone interact. energy: -2.416 local terms energy: -50.865948 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -11.690 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -10.960 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: 4 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -115.414795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.414795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.414795 (E_RNA) where: Base-Base interactions energy: -70.870 where: short stacking energy: -46.260 Base-Backbone interact. energy: -0.160 local terms energy: -44.384739 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -11.574 flat angles P-C4'-P energy: -6.680 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: 9, replica: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -92.403226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.403226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.403226 (E_RNA) where: Base-Base interactions energy: -39.484 where: short stacking energy: -31.487 Base-Backbone interact. energy: -0.142 local terms energy: -52.776865 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -6.882 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: 10, replica: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -115.118893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.118893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.118893 (E_RNA) where: Base-Base interactions energy: -61.015 where: short stacking energy: -34.247 Base-Backbone interact. energy: 0.840 local terms energy: -54.944639 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -8.096 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: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -276.821684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.821684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.821684 (E_RNA) where: Base-Base interactions energy: -190.130 where: short stacking energy: -85.613 Base-Backbone interact. energy: -0.425 local terms energy: -86.267073 where: bonds (distance) C4'-P energy: -19.681 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -16.855 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -20.868 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: 87 Temperature: 0.950000 Total energy: -272.522598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.522598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.522598 (E_RNA) where: Base-Base interactions energy: -194.245 where: short stacking energy: -75.982 Base-Backbone interact. energy: -1.056 local terms energy: -77.221362 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -13.968 tors. eta vs tors. theta energy: -15.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -279.614946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.614946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.614946 (E_RNA) where: Base-Base interactions energy: -194.790 where: short stacking energy: -83.867 Base-Backbone interact. energy: -0.024 local terms energy: -84.800929 where: bonds (distance) C4'-P energy: -14.861 bonds (distance) P-C4' energy: -19.080 flat angles C4'-P-C4' energy: -18.610 flat angles P-C4'-P energy: -12.920 tors. eta vs tors. theta energy: -19.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -234.535450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.535450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.535450 (E_RNA) where: Base-Base interactions energy: -171.745 where: short stacking energy: -86.823 Base-Backbone interact. energy: -0.040 local terms energy: -62.749919 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -18.345 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -15.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -270.708149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.708149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.708149 (E_RNA) where: Base-Base interactions energy: -197.207 where: short stacking energy: -83.712 Base-Backbone interact. energy: -0.091 local terms energy: -73.410507 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -17.158 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -17.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -210.944869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.944869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.944869 (E_RNA) where: Base-Base interactions energy: -137.326 where: short stacking energy: -72.199 Base-Backbone interact. energy: -0.505 local terms energy: -73.114141 where: bonds (distance) C4'-P energy: -16.643 bonds (distance) P-C4' energy: -13.703 flat angles C4'-P-C4' energy: -16.251 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -15.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -210.911457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.911457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.911457 (E_RNA) where: Base-Base interactions energy: -139.665 where: short stacking energy: -65.443 Base-Backbone interact. energy: -0.069 local terms energy: -71.177458 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -18.890 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -16.479 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: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -121.218566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.218566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.218566 (E_RNA) where: Base-Base interactions energy: -60.358 where: short stacking energy: -51.777 Base-Backbone interact. energy: -0.094 local terms energy: -60.766564 where: bonds (distance) C4'-P energy: -17.830 bonds (distance) P-C4' energy: -15.946 flat angles C4'-P-C4' energy: -9.607 flat angles P-C4'-P energy: -12.443 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: 9, replica: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -149.023217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.023217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.023217 (E_RNA) where: Base-Base interactions energy: -88.829 where: short stacking energy: -40.447 Base-Backbone interact. energy: -0.489 local terms energy: -59.705447 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -19.238 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -103.550772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.550772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.550772 (E_RNA) where: Base-Base interactions energy: -45.612 where: short stacking energy: -24.481 Base-Backbone interact. energy: -0.035 local terms energy: -57.904284 where: bonds (distance) C4'-P energy: -12.619 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -10.184 tors. eta vs tors. theta energy: -4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -274.310554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.310554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.310554 (E_RNA) where: Base-Base interactions energy: -196.338 where: short stacking energy: -92.478 Base-Backbone interact. energy: -0.137 local terms energy: -77.835984 where: bonds (distance) C4'-P energy: -14.775 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -14.081 tors. eta vs tors. theta energy: -19.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -269.286134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.286134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.286134 (E_RNA) where: Base-Base interactions energy: -193.915 where: short stacking energy: -76.282 Base-Backbone interact. energy: -2.452 local terms energy: -72.919279 where: bonds (distance) C4'-P energy: -11.538 bonds (distance) P-C4' energy: -17.489 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -12.853 tors. eta vs tors. theta energy: -16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -275.237664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.237664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.237664 (E_RNA) where: Base-Base interactions energy: -200.276 where: short stacking energy: -81.542 Base-Backbone interact. energy: -0.059 local terms energy: -74.902812 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -18.112 flat angles C4'-P-C4' energy: -15.325 flat angles P-C4'-P energy: -12.746 tors. eta vs tors. theta energy: -20.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -229.308429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.308429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.308429 (E_RNA) where: Base-Base interactions energy: -145.261 where: short stacking energy: -79.355 Base-Backbone interact. energy: -0.365 local terms energy: -83.682499 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -19.818 flat angles C4'-P-C4' energy: -18.510 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -271.683708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.683708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.683708 (E_RNA) where: Base-Base interactions energy: -192.664 where: short stacking energy: -79.082 Base-Backbone interact. energy: -0.137 local terms energy: -78.881992 where: bonds (distance) C4'-P energy: -18.356 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -18.366 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -19.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -202.140633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.140633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.140633 (E_RNA) where: Base-Base interactions energy: -140.982 where: short stacking energy: -68.515 Base-Backbone interact. energy: 1.134 local terms energy: -62.293081 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -18.175 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -227.941823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.941823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.941823 (E_RNA) where: Base-Base interactions energy: -146.813 where: short stacking energy: -80.210 Base-Backbone interact. energy: 0.431 local terms energy: -81.559637 where: bonds (distance) C4'-P energy: -16.643 bonds (distance) P-C4' energy: -16.691 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -11.121 tors. eta vs tors. theta energy: -20.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -127.124219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.124219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.124219 (E_RNA) where: Base-Base interactions energy: -62.678 where: short stacking energy: -54.977 Base-Backbone interact. energy: -0.066 local terms energy: -64.379644 where: bonds (distance) C4'-P energy: -17.763 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -8.960 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: 4 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -142.419572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.419572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.419572 (E_RNA) where: Base-Base interactions energy: -86.805 where: short stacking energy: -49.856 Base-Backbone interact. energy: -0.141 local terms energy: -55.473603 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -16.875 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -6.276 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: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -95.243535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.243535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.243535 (E_RNA) where: Base-Base interactions energy: -49.005 where: short stacking energy: -49.005 Base-Backbone interact. energy: -0.211 local terms energy: -46.026858 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.784 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: 1, replica: 8 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -285.940538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.940538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.940538 (E_RNA) where: Base-Base interactions energy: -204.088 where: short stacking energy: -89.340 Base-Backbone interact. energy: -0.184 local terms energy: -81.668653 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -12.411 tors. eta vs tors. theta energy: -21.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -283.946406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.946406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.946406 (E_RNA) where: Base-Base interactions energy: -198.368 where: short stacking energy: -83.581 Base-Backbone interact. energy: 1.662 local terms energy: -87.240462 where: bonds (distance) C4'-P energy: -17.758 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -18.212 flat angles P-C4'-P energy: -11.986 tors. eta vs tors. theta energy: -22.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -269.704610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.704610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.704610 (E_RNA) where: Base-Base interactions energy: -195.362 where: short stacking energy: -79.571 Base-Backbone interact. energy: -1.517 local terms energy: -72.825864 where: bonds (distance) C4'-P energy: -17.350 bonds (distance) P-C4' energy: -15.848 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -14.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -275.756521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.756521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.756521 (E_RNA) where: Base-Base interactions energy: -196.808 where: short stacking energy: -78.575 Base-Backbone interact. energy: -0.430 local terms energy: -78.518493 where: bonds (distance) C4'-P energy: -16.514 bonds (distance) P-C4' energy: -16.335 flat angles C4'-P-C4' energy: -16.344 flat angles P-C4'-P energy: -12.254 tors. eta vs tors. theta energy: -17.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -240.120473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.120473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.120473 (E_RNA) where: Base-Base interactions energy: -160.194 where: short stacking energy: -82.755 Base-Backbone interact. energy: -0.671 local terms energy: -79.255812 where: bonds (distance) C4'-P energy: -17.508 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -17.215 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -19.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -223.082133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.082133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.082133 (E_RNA) where: Base-Base interactions energy: -147.950 where: short stacking energy: -67.709 Base-Backbone interact. energy: 0.117 local terms energy: -75.248959 where: bonds (distance) C4'-P energy: -15.238 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -17.405 flat angles P-C4'-P energy: -11.730 tors. eta vs tors. theta energy: -15.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -195.931326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.931326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.931326 (E_RNA) where: Base-Base interactions energy: -122.469 where: short stacking energy: -72.052 Base-Backbone interact. energy: -0.102 local terms energy: -73.359656 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -16.547 flat angles C4'-P-C4' energy: -16.532 flat angles P-C4'-P energy: -14.524 tors. eta vs tors. theta energy: -12.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -164.608224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.608224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.608224 (E_RNA) where: Base-Base interactions energy: -106.145 where: short stacking energy: -48.035 Base-Backbone interact. energy: -0.131 local terms energy: -58.332412 where: bonds (distance) C4'-P energy: -7.881 bonds (distance) P-C4' energy: -16.964 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -12.058 tors. eta vs tors. theta energy: -7.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -99.676425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.676425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.676425 (E_RNA) where: Base-Base interactions energy: -46.687 where: short stacking energy: -37.566 Base-Backbone interact. energy: -0.806 local terms energy: -52.183011 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -89.559106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.559106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.559106 (E_RNA) where: Base-Base interactions energy: -44.979 where: short stacking energy: -38.490 Base-Backbone interact. energy: 0.006 local terms energy: -44.586611 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -17.057 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: 2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -284.819407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.819407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.819407 (E_RNA) where: Base-Base interactions energy: -202.989 where: short stacking energy: -85.266 Base-Backbone interact. energy: -1.023 local terms energy: -80.807435 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -16.926 flat angles C4'-P-C4' energy: -18.277 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -20.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -272.158414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.158414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.158414 (E_RNA) where: Base-Base interactions energy: -188.416 where: short stacking energy: -81.247 Base-Backbone interact. energy: -0.369 local terms energy: -83.373511 where: bonds (distance) C4'-P energy: -17.619 bonds (distance) P-C4' energy: -18.112 flat angles C4'-P-C4' energy: -17.349 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -20.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -288.709628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.709628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.709628 (E_RNA) where: Base-Base interactions energy: -203.488 where: short stacking energy: -87.837 Base-Backbone interact. energy: -0.766 local terms energy: -84.456147 where: bonds (distance) C4'-P energy: -18.017 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -16.435 flat angles P-C4'-P energy: -13.108 tors. eta vs tors. theta energy: -21.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -268.624378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.624378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.624378 (E_RNA) where: Base-Base interactions energy: -197.401 where: short stacking energy: -76.951 Base-Backbone interact. energy: -1.145 local terms energy: -70.078238 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -18.590 flat angles C4'-P-C4' energy: -15.944 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -13.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -238.919912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.919912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.919912 (E_RNA) where: Base-Base interactions energy: -155.152 where: short stacking energy: -81.507 Base-Backbone interact. energy: -0.002 local terms energy: -83.766725 where: bonds (distance) C4'-P energy: -16.815 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -11.837 tors. eta vs tors. theta energy: -21.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -223.366706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.366706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.366706 (E_RNA) where: Base-Base interactions energy: -154.746 where: short stacking energy: -74.617 Base-Backbone interact. energy: -0.746 local terms energy: -67.874189 where: bonds (distance) C4'-P energy: -15.507 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -15.652 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -207.778517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.778517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.778517 (E_RNA) where: Base-Base interactions energy: -146.385 where: short stacking energy: -64.675 Base-Backbone interact. energy: -0.315 local terms energy: -61.078121 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -7.529 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -16.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -173.214943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.214943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.214943 (E_RNA) where: Base-Base interactions energy: -114.280 where: short stacking energy: -56.203 Base-Backbone interact. energy: -0.108 local terms energy: -58.827358 where: bonds (distance) C4'-P energy: -17.998 bonds (distance) P-C4' energy: -8.701 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -117.830018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.830018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.830018 (E_RNA) where: Base-Base interactions energy: -63.731 where: short stacking energy: -36.716 Base-Backbone interact. energy: -0.482 local terms energy: -53.617111 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -14.361 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -1.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -96.999969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.999969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.999969 (E_RNA) where: Base-Base interactions energy: -47.122 where: short stacking energy: -32.865 Base-Backbone interact. energy: -0.243 local terms energy: -49.634491 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -15.568 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -7.452 tors. eta vs tors. theta energy: 0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -284.414048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.414048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.414048 (E_RNA) where: Base-Base interactions energy: -202.471 where: short stacking energy: -88.178 Base-Backbone interact. energy: 0.073 local terms energy: -82.015947 where: bonds (distance) C4'-P energy: -17.842 bonds (distance) P-C4' energy: -15.937 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -21.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -283.054814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.054814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.054814 (E_RNA) where: Base-Base interactions energy: -200.773 where: short stacking energy: -85.347 Base-Backbone interact. energy: 0.230 local terms energy: -82.511618 where: bonds (distance) C4'-P energy: -18.016 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -13.766 tors. eta vs tors. theta energy: -20.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -272.303291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.303291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.303291 (E_RNA) where: Base-Base interactions energy: -187.781 where: short stacking energy: -85.995 Base-Backbone interact. energy: -0.712 local terms energy: -83.810162 where: bonds (distance) C4'-P energy: -17.813 bonds (distance) P-C4' energy: -18.418 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -12.003 tors. eta vs tors. theta energy: -19.004 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: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -265.049823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.049823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.049823 (E_RNA) where: Base-Base interactions energy: -188.951 where: short stacking energy: -74.183 Base-Backbone interact. energy: -1.010 local terms energy: -75.088650 where: bonds (distance) C4'-P energy: -17.829 bonds (distance) P-C4' energy: -13.238 flat angles C4'-P-C4' energy: -16.053 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -16.183 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: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -233.389526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.389526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.389526 (E_RNA) where: Base-Base interactions energy: -152.730 where: short stacking energy: -72.183 Base-Backbone interact. energy: -0.045 local terms energy: -80.614535 where: bonds (distance) C4'-P energy: -17.225 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -17.830 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -224.930008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.930008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.930008 (E_RNA) where: Base-Base interactions energy: -156.468 where: short stacking energy: -71.047 Base-Backbone interact. energy: -0.036 local terms energy: -68.426053 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -11.182 tors. eta vs tors. theta energy: -15.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -195.499822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.499822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.499822 (E_RNA) where: Base-Base interactions energy: -122.382 where: short stacking energy: -60.892 Base-Backbone interact. energy: -0.333 local terms energy: -72.785284 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -18.597 flat angles C4'-P-C4' energy: -16.130 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -14.144 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: 91 Temperature: 1.250000 Total energy: -148.553585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.553585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.553585 (E_RNA) where: Base-Base interactions energy: -92.984 where: short stacking energy: -43.930 Base-Backbone interact. energy: -0.089 local terms energy: -55.481227 where: bonds (distance) C4'-P energy: -10.172 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -18.007 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -106.081241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.081241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.081241 (E_RNA) where: Base-Base interactions energy: -50.682 where: short stacking energy: -49.408 Base-Backbone interact. energy: -0.122 local terms energy: -55.277121 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -12.330 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: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -101.959275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.959275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.959275 (E_RNA) where: Base-Base interactions energy: -47.917 where: short stacking energy: -42.571 Base-Backbone interact. energy: 0.782 local terms energy: -54.824111 where: bonds (distance) C4'-P energy: -11.311 bonds (distance) P-C4' energy: -17.682 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -283.556156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.556156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.556156 (E_RNA) where: Base-Base interactions energy: -203.322 where: short stacking energy: -87.031 Base-Backbone interact. energy: -0.088 local terms energy: -80.146480 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -17.378 flat angles C4'-P-C4' energy: -18.301 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -18.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -284.956894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.956894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.956894 (E_RNA) where: Base-Base interactions energy: -208.349 where: short stacking energy: -83.117 Base-Backbone interact. energy: -0.139 local terms energy: -76.468426 where: bonds (distance) C4'-P energy: -17.483 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -21.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -270.896813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.896813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.896813 (E_RNA) where: Base-Base interactions energy: -196.074 where: short stacking energy: -78.974 Base-Backbone interact. energy: -1.101 local terms energy: -73.722127 where: bonds (distance) C4'-P energy: -16.030 bonds (distance) P-C4' energy: -14.198 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -13.841 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -260.843401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.843401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.843401 (E_RNA) where: Base-Base interactions energy: -184.367 where: short stacking energy: -87.554 Base-Backbone interact. energy: 1.060 local terms energy: -77.536834 where: bonds (distance) C4'-P energy: -17.140 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -19.376 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -20.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -229.255433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.255433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.255433 (E_RNA) where: Base-Base interactions energy: -153.151 where: short stacking energy: -74.995 Base-Backbone interact. energy: -0.205 local terms energy: -75.899478 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -17.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -231.464154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.464154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.464154 (E_RNA) where: Base-Base interactions energy: -156.184 where: short stacking energy: -68.978 Base-Backbone interact. energy: 1.144 local terms energy: -76.423853 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -16.634 flat angles C4'-P-C4' energy: -16.852 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -19.554 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: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -209.830724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.830724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.830724 (E_RNA) where: Base-Base interactions energy: -136.320 where: short stacking energy: -68.643 Base-Backbone interact. energy: -0.208 local terms energy: -73.302576 where: bonds (distance) C4'-P energy: -16.646 bonds (distance) P-C4' energy: -17.420 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -13.222 tors. eta vs tors. theta energy: -13.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -115.517341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.517341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.517341 (E_RNA) where: Base-Base interactions energy: -59.153 where: short stacking energy: -45.005 Base-Backbone interact. energy: -0.833 local terms energy: -55.531452 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -7.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -130.201696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.201696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.201696 (E_RNA) where: Base-Base interactions energy: -75.867 where: short stacking energy: -64.620 Base-Backbone interact. energy: -0.375 local terms energy: -53.959538 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -8.552 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -6.056 tors. eta vs tors. theta energy: -12.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -97.581494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.581494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.581494 (E_RNA) where: Base-Base interactions energy: -37.397 where: short stacking energy: -27.919 Base-Backbone interact. energy: -0.094 local terms energy: -60.090540 where: bonds (distance) C4'-P energy: -17.271 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -283.398411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.398411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.398411 (E_RNA) where: Base-Base interactions energy: -200.661 where: short stacking energy: -89.865 Base-Backbone interact. energy: -0.101 local terms energy: -82.636903 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -19.764 flat angles C4'-P-C4' energy: -18.533 flat angles P-C4'-P energy: -12.992 tors. eta vs tors. theta energy: -18.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -277.014699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.014699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.014699 (E_RNA) where: Base-Base interactions energy: -204.349 where: short stacking energy: -81.625 Base-Backbone interact. energy: -0.509 local terms energy: -72.156867 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -279.838079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.838079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.838079 (E_RNA) where: Base-Base interactions energy: -198.298 where: short stacking energy: -79.162 Base-Backbone interact. energy: -0.714 local terms energy: -80.826275 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -18.039 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -21.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -264.930296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.930296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.930296 (E_RNA) where: Base-Base interactions energy: -180.508 where: short stacking energy: -84.401 Base-Backbone interact. energy: 0.242 local terms energy: -84.664599 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -20.222 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -12.086 tors. eta vs tors. theta energy: -19.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -224.723962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.723962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.723962 (E_RNA) where: Base-Base interactions energy: -143.846 where: short stacking energy: -70.290 Base-Backbone interact. energy: -0.032 local terms energy: -80.846314 where: bonds (distance) C4'-P energy: -16.974 bonds (distance) P-C4' energy: -16.332 flat angles C4'-P-C4' energy: -17.117 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -19.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -227.812091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.812091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.812091 (E_RNA) where: Base-Base interactions energy: -155.102 where: short stacking energy: -66.310 Base-Backbone interact. energy: -0.187 local terms energy: -72.522438 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -13.897 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -14.397 tors. eta vs tors. theta energy: -11.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -207.275471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.275471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.275471 (E_RNA) where: Base-Base interactions energy: -136.478 where: short stacking energy: -68.783 Base-Backbone interact. energy: -0.130 local terms energy: -70.667560 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -15.114 flat angles C4'-P-C4' energy: -17.381 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -11.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -125.366994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.366994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.366994 (E_RNA) where: Base-Base interactions energy: -61.938 where: short stacking energy: -44.652 Base-Backbone interact. energy: 1.672 local terms energy: -65.101424 where: bonds (distance) C4'-P energy: -18.237 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -11.870 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -114.391781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.391781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.391781 (E_RNA) where: Base-Base interactions energy: -48.745 where: short stacking energy: -48.745 Base-Backbone interact. energy: -0.258 local terms energy: -65.389377 where: bonds (distance) C4'-P energy: -17.272 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -9.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -97.772388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.772388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.772388 (E_RNA) where: Base-Base interactions energy: -40.774 where: short stacking energy: -33.616 Base-Backbone interact. energy: -0.308 local terms energy: -56.690964 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -12.324 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: 1, replica: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -275.204038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.204038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.204038 (E_RNA) where: Base-Base interactions energy: -198.876 where: short stacking energy: -80.547 Base-Backbone interact. energy: -1.121 local terms energy: -75.206725 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -16.349 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -13.315 tors. eta vs tors. theta energy: -15.537 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: 94 Temperature: 0.950000 Total energy: -281.271285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.271285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.271285 (E_RNA) where: Base-Base interactions energy: -202.359 where: short stacking energy: -86.998 Base-Backbone interact. energy: 0.556 local terms energy: -79.467855 where: bonds (distance) C4'-P energy: -15.177 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -17.316 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -20.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -282.979517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.979517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.979517 (E_RNA) where: Base-Base interactions energy: -203.665 where: short stacking energy: -75.979 Base-Backbone interact. energy: -0.066 local terms energy: -79.248537 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -16.456 flat angles C4'-P-C4' energy: -19.209 flat angles P-C4'-P energy: -11.421 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -259.274531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.274531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.274531 (E_RNA) where: Base-Base interactions energy: -189.190 where: short stacking energy: -83.292 Base-Backbone interact. energy: -0.531 local terms energy: -69.553987 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -13.962 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -19.017 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: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -237.083385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.083385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.083385 (E_RNA) where: Base-Base interactions energy: -161.245 where: short stacking energy: -69.699 Base-Backbone interact. energy: -0.974 local terms energy: -74.864442 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -18.236 flat angles P-C4'-P energy: -12.525 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -231.457090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.457090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.457090 (E_RNA) where: Base-Base interactions energy: -156.616 where: short stacking energy: -83.293 Base-Backbone interact. energy: -0.077 local terms energy: -74.763851 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -14.962 flat angles C4'-P-C4' energy: -17.578 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -23.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -207.721749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.721749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.721749 (E_RNA) where: Base-Base interactions energy: -132.598 where: short stacking energy: -74.826 Base-Backbone interact. energy: -0.020 local terms energy: -75.104145 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -8.722 tors. eta vs tors. theta energy: -19.348 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: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -133.157224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.157224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.157224 (E_RNA) where: Base-Base interactions energy: -77.941 where: short stacking energy: -46.794 Base-Backbone interact. energy: -0.279 local terms energy: -54.937040 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -8.926 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -8.394 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: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -105.384256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.384256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.384256 (E_RNA) where: Base-Base interactions energy: -47.834 where: short stacking energy: -48.558 Base-Backbone interact. energy: 0.302 local terms energy: -57.852271 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -92.601218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.601218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.601218 (E_RNA) where: Base-Base interactions energy: -46.117 where: short stacking energy: -46.016 Base-Backbone interact. energy: -0.253 local terms energy: -46.230754 where: bonds (distance) C4'-P energy: -8.983 bonds (distance) P-C4' energy: -13.618 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -7.073 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: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -283.221093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.221093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.221093 (E_RNA) where: Base-Base interactions energy: -200.077 where: short stacking energy: -79.538 Base-Backbone interact. energy: -0.945 local terms energy: -82.198348 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -18.718 flat angles C4'-P-C4' energy: -19.835 flat angles P-C4'-P energy: -13.723 tors. eta vs tors. theta energy: -15.582 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: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -281.221255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.221255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.221255 (E_RNA) where: Base-Base interactions energy: -200.549 where: short stacking energy: -85.044 Base-Backbone interact. energy: -0.498 local terms energy: -80.174475 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -19.404 flat angles C4'-P-C4' energy: -17.844 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -20.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -280.977405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.977405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.977405 (E_RNA) where: Base-Base interactions energy: -202.542 where: short stacking energy: -90.556 Base-Backbone interact. energy: 0.134 local terms energy: -78.570091 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -17.576 flat angles C4'-P-C4' energy: -16.503 flat angles P-C4'-P energy: -11.320 tors. eta vs tors. theta energy: -20.474 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: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -259.093238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.093238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.093238 (E_RNA) where: Base-Base interactions energy: -182.009 where: short stacking energy: -75.337 Base-Backbone interact. energy: -0.471 local terms energy: -76.612465 where: bonds (distance) C4'-P energy: -14.966 bonds (distance) P-C4' energy: -14.845 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -20.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -224.097169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.097169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.097169 (E_RNA) where: Base-Base interactions energy: -149.827 where: short stacking energy: -73.490 Base-Backbone interact. energy: -0.000 local terms energy: -74.269920 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -18.213 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -20.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -218.065147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.065147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.065147 (E_RNA) where: Base-Base interactions energy: -147.475 where: short stacking energy: -72.700 Base-Backbone interact. energy: 1.817 local terms energy: -72.406617 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -16.744 flat angles C4'-P-C4' energy: -16.532 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -17.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -210.574050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.574050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.574050 (E_RNA) where: Base-Base interactions energy: -136.781 where: short stacking energy: -66.440 Base-Backbone interact. energy: 0.192 local terms energy: -73.985131 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -16.119 flat angles P-C4'-P energy: -13.017 tors. eta vs tors. theta energy: -19.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -113.534559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.534559 (E_RNA) where: Base-Base interactions energy: -56.209 where: short stacking energy: -53.118 Base-Backbone interact. energy: -0.176 local terms energy: -57.150168 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -12.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -94.205615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.205615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.205615 (E_RNA) where: Base-Base interactions energy: -47.404 where: short stacking energy: -45.184 Base-Backbone interact. energy: -0.232 local terms energy: -46.570035 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -10.316 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: 10, replica: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -162.820499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.820499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.820499 (E_RNA) where: Base-Base interactions energy: -105.663 where: short stacking energy: -47.723 Base-Backbone interact. energy: -0.154 local terms energy: -57.003610 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -18.517 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -290.211927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.211927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.211927 (E_RNA) where: Base-Base interactions energy: -203.364 where: short stacking energy: -86.794 Base-Backbone interact. energy: -0.210 local terms energy: -86.638157 where: bonds (distance) C4'-P energy: -18.444 bonds (distance) P-C4' energy: -17.808 flat angles C4'-P-C4' energy: -19.917 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -19.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -272.778709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.778709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.778709 (E_RNA) where: Base-Base interactions energy: -199.316 where: short stacking energy: -77.638 Base-Backbone interact. energy: -0.854 local terms energy: -72.608082 where: bonds (distance) C4'-P energy: -17.411 bonds (distance) P-C4' energy: -16.453 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -12.681 tors. eta vs tors. theta energy: -12.187 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: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -273.074777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.074777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.074777 (E_RNA) where: Base-Base interactions energy: -197.106 where: short stacking energy: -84.547 Base-Backbone interact. energy: -0.127 local terms energy: -75.842188 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -11.600 tors. eta vs tors. theta energy: -19.528 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: 96 Temperature: 1.050000 Total energy: -271.628906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.628906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.628906 (E_RNA) where: Base-Base interactions energy: -189.452 where: short stacking energy: -74.622 Base-Backbone interact. energy: -0.362 local terms energy: -81.814524 where: bonds (distance) C4'-P energy: -16.468 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -18.142 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -22.420 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: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -240.153867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.153867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.153867 (E_RNA) where: Base-Base interactions energy: -162.647 where: short stacking energy: -86.785 Base-Backbone interact. energy: -0.143 local terms energy: -77.364124 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -16.405 flat angles C4'-P-C4' energy: -18.936 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -21.291 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: 6, replica: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -230.112611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.112611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.112611 (E_RNA) where: Base-Base interactions energy: -161.453 where: short stacking energy: -72.077 Base-Backbone interact. energy: -0.217 local terms energy: -68.442474 where: bonds (distance) C4'-P energy: -15.471 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -17.638 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -16.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -211.978392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.978392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.978392 (E_RNA) where: Base-Base interactions energy: -143.702 where: short stacking energy: -70.695 Base-Backbone interact. energy: 1.733 local terms energy: -70.009885 where: bonds (distance) C4'-P energy: -8.726 bonds (distance) P-C4' energy: -18.182 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -17.174 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: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -131.135508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.135508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.135508 (E_RNA) where: Base-Base interactions energy: -75.655 where: short stacking energy: -47.814 Base-Backbone interact. energy: -0.351 local terms energy: -55.129517 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -192.376917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.376917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.376917 (E_RNA) where: Base-Base interactions energy: -127.552 where: short stacking energy: -54.442 Base-Backbone interact. energy: -0.002 local terms energy: -64.822123 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -15.854 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -15.547 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: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -112.282336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.282336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.282336 (E_RNA) where: Base-Base interactions energy: -54.979 where: short stacking energy: -38.351 Base-Backbone interact. energy: -0.877 local terms energy: -56.426046 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -17.164 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -12.231 tors. eta vs tors. theta energy: -1.692 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: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -289.334106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.334106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.334106 (E_RNA) where: Base-Base interactions energy: -205.866 where: short stacking energy: -86.629 Base-Backbone interact. energy: -0.836 local terms energy: -82.631683 where: bonds (distance) C4'-P energy: -14.991 bonds (distance) P-C4' energy: -19.568 flat angles C4'-P-C4' energy: -18.398 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -19.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -275.942516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.942516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.942516 (E_RNA) where: Base-Base interactions energy: -197.919 where: short stacking energy: -73.750 Base-Backbone interact. energy: -0.090 local terms energy: -77.933700 where: bonds (distance) C4'-P energy: -16.862 bonds (distance) P-C4' energy: -16.596 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -15.307 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -273.071431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.071431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.071431 (E_RNA) where: Base-Base interactions energy: -201.658 where: short stacking energy: -76.656 Base-Backbone interact. energy: -1.672 local terms energy: -69.741856 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -13.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -262.058560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.058560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.058560 (E_RNA) where: Base-Base interactions energy: -181.303 where: short stacking energy: -82.239 Base-Backbone interact. energy: -1.023 local terms energy: -79.732675 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -20.211 flat angles P-C4'-P energy: -9.329 tors. eta vs tors. theta energy: -19.971 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: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -252.010585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.010585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.010585 (E_RNA) where: Base-Base interactions energy: -172.435 where: short stacking energy: -75.254 Base-Backbone interact. energy: -0.730 local terms energy: -78.845681 where: bonds (distance) C4'-P energy: -12.986 bonds (distance) P-C4' energy: -19.200 flat angles C4'-P-C4' energy: -17.166 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -20.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -220.511699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.511699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.511699 (E_RNA) where: Base-Base interactions energy: -145.592 where: short stacking energy: -72.437 Base-Backbone interact. energy: -0.101 local terms energy: -74.818540 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -16.680 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -21.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -225.590462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.590462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.590462 (E_RNA) where: Base-Base interactions energy: -148.689 where: short stacking energy: -64.554 Base-Backbone interact. energy: 0.161 local terms energy: -77.063249 where: bonds (distance) C4'-P energy: -16.331 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -18.265 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -195.210520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.210520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.210520 (E_RNA) where: Base-Base interactions energy: -134.105 where: short stacking energy: -66.684 Base-Backbone interact. energy: -0.030 local terms energy: -61.075734 where: bonds (distance) C4'-P energy: -17.736 bonds (distance) P-C4' energy: -9.702 flat angles C4'-P-C4' energy: -16.134 flat angles P-C4'-P energy: -5.459 tors. eta vs tors. theta energy: -12.045 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -137.881518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.881518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.881518 (E_RNA) where: Base-Base interactions energy: -74.807 where: short stacking energy: -47.618 Base-Backbone interact. energy: 1.197 local terms energy: -64.271608 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -17.894 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -11.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -112.399777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.399777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.399777 (E_RNA) where: Base-Base interactions energy: -61.019 where: short stacking energy: -35.090 Base-Backbone interact. energy: 1.076 local terms energy: -52.456992 where: bonds (distance) C4'-P energy: -9.826 bonds (distance) P-C4' energy: -16.724 flat angles C4'-P-C4' energy: -9.863 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -285.690372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.690372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.690372 (E_RNA) where: Base-Base interactions energy: -204.881 where: short stacking energy: -86.082 Base-Backbone interact. energy: 0.311 local terms energy: -81.119597 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -18.667 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -23.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -277.667903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.667903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.667903 (E_RNA) where: Base-Base interactions energy: -201.469 where: short stacking energy: -82.544 Base-Backbone interact. energy: -0.380 local terms energy: -75.819155 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -17.087 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -20.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -275.397453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.397453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.397453 (E_RNA) where: Base-Base interactions energy: -199.895 where: short stacking energy: -77.586 Base-Backbone interact. energy: -1.456 local terms energy: -74.046969 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -15.651 tors. eta vs tors. theta energy: -13.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -261.992950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.992950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.992950 (E_RNA) where: Base-Base interactions energy: -191.188 where: short stacking energy: -84.642 Base-Backbone interact. energy: -0.457 local terms energy: -70.347841 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -19.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -224.774693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.774693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.774693 (E_RNA) where: Base-Base interactions energy: -157.417 where: short stacking energy: -72.844 Base-Backbone interact. energy: -0.184 local terms energy: -67.173264 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -17.400 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -17.893 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: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -213.978489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.978489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.978489 (E_RNA) where: Base-Base interactions energy: -140.903 where: short stacking energy: -70.173 Base-Backbone interact. energy: -0.099 local terms energy: -72.976242 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -13.353 tors. eta vs tors. theta energy: -15.743 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: 4 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -217.475219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.475219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.475219 (E_RNA) where: Base-Base interactions energy: -144.431 where: short stacking energy: -75.819 Base-Backbone interact. energy: -0.015 local terms energy: -73.029215 where: bonds (distance) C4'-P energy: -15.309 bonds (distance) P-C4' energy: -10.854 flat angles C4'-P-C4' energy: -17.606 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -17.003 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: 8, replica: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -210.080262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.080262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.080262 (E_RNA) where: Base-Base interactions energy: -145.730 where: short stacking energy: -70.085 Base-Backbone interact. energy: -0.201 local terms energy: -64.148698 where: bonds (distance) C4'-P energy: -8.632 bonds (distance) P-C4' energy: -12.245 flat angles C4'-P-C4' energy: -17.819 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -15.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -98.456647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.456647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.456647 (E_RNA) where: Base-Base interactions energy: -40.379 where: short stacking energy: -32.559 Base-Backbone interact. energy: 1.687 local terms energy: -59.764160 where: bonds (distance) C4'-P energy: -14.567 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -16.695 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -135.167503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.167503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.167503 (E_RNA) where: Base-Base interactions energy: -77.009 where: short stacking energy: -45.445 Base-Backbone interact. energy: 0.637 local terms energy: -58.795192 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -18.202 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -9.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -286.718319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.718319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.718319 (E_RNA) where: Base-Base interactions energy: -201.305 where: short stacking energy: -86.602 Base-Backbone interact. energy: -0.192 local terms energy: -85.220717 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -17.654 flat angles C4'-P-C4' energy: -19.872 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -21.734 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: 5 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -266.607323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.607323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.607323 (E_RNA) where: Base-Base interactions energy: -199.360 where: short stacking energy: -79.861 Base-Backbone interact. energy: -0.196 local terms energy: -67.051377 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -12.293 tors. eta vs tors. theta energy: -14.320 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: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -280.354292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.354292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.354292 (E_RNA) where: Base-Base interactions energy: -203.939 where: short stacking energy: -87.066 Base-Backbone interact. energy: -0.179 local terms energy: -76.237062 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -17.566 flat angles P-C4'-P energy: -9.377 tors. eta vs tors. theta energy: -22.408 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: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -257.844189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.844189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.844189 (E_RNA) where: Base-Base interactions energy: -187.318 where: short stacking energy: -81.973 Base-Backbone interact. energy: -0.324 local terms energy: -70.201855 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -19.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -228.891951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.891951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.891951 (E_RNA) where: Base-Base interactions energy: -155.042 where: short stacking energy: -67.804 Base-Backbone interact. energy: -0.592 local terms energy: -73.258502 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -18.607 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -223.368314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.368314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.368314 (E_RNA) where: Base-Base interactions energy: -150.910 where: short stacking energy: -76.667 Base-Backbone interact. energy: 1.941 local terms energy: -74.399524 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -19.555 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -19.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -212.184580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.184580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.184580 (E_RNA) where: Base-Base interactions energy: -145.119 where: short stacking energy: -65.128 Base-Backbone interact. energy: -0.065 local terms energy: -67.001146 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -15.648 flat angles C4'-P-C4' energy: -16.758 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -12.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -195.575532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.575532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.575532 (E_RNA) where: Base-Base interactions energy: -130.402 where: short stacking energy: -51.406 Base-Backbone interact. energy: -1.144 local terms energy: -64.029199 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -108.510539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.510539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.510539 (E_RNA) where: Base-Base interactions energy: -47.303 where: short stacking energy: -34.514 Base-Backbone interact. energy: -0.054 local terms energy: -61.153597 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -17.861 flat angles C4'-P-C4' energy: -16.710 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -123.934838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.934838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.934838 (E_RNA) where: Base-Base interactions energy: -69.858 where: short stacking energy: -34.410 Base-Backbone interact. energy: -0.158 local terms energy: -53.919292 where: bonds (distance) C4'-P energy: -12.122 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -276.134873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.134873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.134873 (E_RNA) where: Base-Base interactions energy: -201.052 where: short stacking energy: -75.901 Base-Backbone interact. energy: 1.707 local terms energy: -76.790140 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -16.486 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -13.940 tors. eta vs tors. theta energy: -16.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -284.265529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.265529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.265529 (E_RNA) where: Base-Base interactions energy: -205.640 where: short stacking energy: -89.182 Base-Backbone interact. energy: 1.358 local terms energy: -79.983718 where: bonds (distance) C4'-P energy: -18.898 bonds (distance) P-C4' energy: -15.335 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -8.916 tors. eta vs tors. theta energy: -20.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -260.977210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.977210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.977210 (E_RNA) where: Base-Base interactions energy: -177.135 where: short stacking energy: -76.545 Base-Backbone interact. energy: -0.235 local terms energy: -83.607292 where: bonds (distance) C4'-P energy: -18.124 bonds (distance) P-C4' energy: -18.072 flat angles C4'-P-C4' energy: -17.669 flat angles P-C4'-P energy: -12.719 tors. eta vs tors. theta energy: -17.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -274.614568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.614568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.614568 (E_RNA) where: Base-Base interactions energy: -194.630 where: short stacking energy: -86.050 Base-Backbone interact. energy: -0.453 local terms energy: -79.531617 where: bonds (distance) C4'-P energy: -15.694 bonds (distance) P-C4' energy: -16.537 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -20.361 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: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -245.765148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.765148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.765148 (E_RNA) where: Base-Base interactions energy: -169.748 where: short stacking energy: -88.343 Base-Backbone interact. energy: -1.788 local terms energy: -74.229203 where: bonds (distance) C4'-P energy: -13.528 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -22.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -221.295452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.295452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.295452 (E_RNA) where: Base-Base interactions energy: -147.770 where: short stacking energy: -84.502 Base-Backbone interact. energy: -0.000 local terms energy: -73.524575 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -21.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -204.589985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.589985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.589985 (E_RNA) where: Base-Base interactions energy: -134.208 where: short stacking energy: -58.584 Base-Backbone interact. energy: -0.228 local terms energy: -70.153399 where: bonds (distance) C4'-P energy: -15.627 bonds (distance) P-C4' energy: -14.038 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -15.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -189.568063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.568063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.568063 (E_RNA) where: Base-Base interactions energy: -133.008 where: short stacking energy: -51.986 Base-Backbone interact. energy: -0.693 local terms energy: -55.867885 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -7.539 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -14.806 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: 100 Temperature: 1.300000 Total energy: -107.037013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.037013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.037013 (E_RNA) where: Base-Base interactions energy: -50.998 where: short stacking energy: -32.150 Base-Backbone interact. energy: -0.688 local terms energy: -55.351216 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -19.320 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -92.353376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.353376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.353376 (E_RNA) where: Base-Base interactions energy: -42.578 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.063 local terms energy: -49.712728 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -16.892 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -276.991185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.991185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.991185 (E_RNA) where: Base-Base interactions energy: -199.522 where: short stacking energy: -78.458 Base-Backbone interact. energy: -0.508 local terms energy: -76.961699 where: bonds (distance) C4'-P energy: -18.641 bonds (distance) P-C4' energy: -15.540 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -12.778 tors. eta vs tors. theta energy: -15.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -290.743417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.743417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.743417 (E_RNA) where: Base-Base interactions energy: -206.502 where: short stacking energy: -88.125 Base-Backbone interact. energy: -0.054 local terms energy: -84.187407 where: bonds (distance) C4'-P energy: -18.273 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -17.317 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -21.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -263.467060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.467060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.467060 (E_RNA) where: Base-Base interactions energy: -184.009 where: short stacking energy: -89.912 Base-Backbone interact. energy: -0.498 local terms energy: -78.960255 where: bonds (distance) C4'-P energy: -18.277 bonds (distance) P-C4' energy: -16.642 flat angles C4'-P-C4' energy: -18.656 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -16.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -268.500893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.500893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.500893 (E_RNA) where: Base-Base interactions energy: -190.827 where: short stacking energy: -68.937 Base-Backbone interact. energy: 0.858 local terms energy: -78.532279 where: bonds (distance) C4'-P energy: -18.133 bonds (distance) P-C4' energy: -19.204 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -17.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -272.833740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.833740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.833740 (E_RNA) where: Base-Base interactions energy: -197.577 where: short stacking energy: -82.976 Base-Backbone interact. energy: -0.410 local terms energy: -74.846500 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -15.836 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -8.593 tors. eta vs tors. theta energy: -22.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -211.524061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.524061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.524061 (E_RNA) where: Base-Base interactions energy: -144.130 where: short stacking energy: -72.044 Base-Backbone interact. energy: -0.386 local terms energy: -67.008367 where: bonds (distance) C4'-P energy: -10.365 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -17.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -197.008911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.008911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.008911 (E_RNA) where: Base-Base interactions energy: -128.948 where: short stacking energy: -61.121 Base-Backbone interact. energy: -0.120 local terms energy: -67.940884 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -16.235 flat angles C4'-P-C4' energy: -16.667 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -11.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -177.203672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.203672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.203672 (E_RNA) where: Base-Base interactions energy: -107.983 where: short stacking energy: -51.283 Base-Backbone interact. energy: -0.607 local terms energy: -68.614386 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -15.507 flat angles C4'-P-C4' energy: -18.443 flat angles P-C4'-P energy: -11.643 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: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -100.869727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.869727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.869727 (E_RNA) where: Base-Base interactions energy: -49.212 where: short stacking energy: -43.242 Base-Backbone interact. energy: 0.326 local terms energy: -51.983867 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -6.889 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: 10, replica: 2 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -99.601680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.601680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.601680 (E_RNA) where: Base-Base interactions energy: -48.930 where: short stacking energy: -47.295 Base-Backbone interact. energy: -0.675 local terms energy: -49.996572 where: bonds (distance) C4'-P energy: -10.722 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -285.852445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.852445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.852445 (E_RNA) where: Base-Base interactions energy: -199.376 where: short stacking energy: -83.746 Base-Backbone interact. energy: -0.349 local terms energy: -86.127509 where: bonds (distance) C4'-P energy: -18.062 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -18.801 flat angles P-C4'-P energy: -13.632 tors. eta vs tors. theta energy: -19.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -275.255699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.255699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.255699 (E_RNA) where: Base-Base interactions energy: -202.736 where: short stacking energy: -82.384 Base-Backbone interact. energy: -0.484 local terms energy: -72.036360 where: bonds (distance) C4'-P energy: -18.034 bonds (distance) P-C4' energy: -14.947 flat angles C4'-P-C4' energy: -17.139 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -266.909962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.909962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.909962 (E_RNA) where: Base-Base interactions energy: -197.536 where: short stacking energy: -78.018 Base-Backbone interact. energy: 0.465 local terms energy: -69.838963 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -9.447 flat angles C4'-P-C4' energy: -17.346 flat angles P-C4'-P energy: -13.213 tors. eta vs tors. theta energy: -17.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -264.808786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.808786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.808786 (E_RNA) where: Base-Base interactions energy: -190.077 where: short stacking energy: -80.507 Base-Backbone interact. energy: -0.159 local terms energy: -74.572678 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -17.860 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -20.076 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: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -268.844108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.844108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.844108 (E_RNA) where: Base-Base interactions energy: -193.735 where: short stacking energy: -80.121 Base-Backbone interact. energy: -0.133 local terms energy: -74.976576 where: bonds (distance) C4'-P energy: -16.306 bonds (distance) P-C4' energy: -17.238 flat angles C4'-P-C4' energy: -16.821 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -198.141275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.141275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.141275 (E_RNA) where: Base-Base interactions energy: -140.032 where: short stacking energy: -50.605 Base-Backbone interact. energy: -0.306 local terms energy: -57.803298 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -8.701 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: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -206.537022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.537022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.537022 (E_RNA) where: Base-Base interactions energy: -129.941 where: short stacking energy: -66.643 Base-Backbone interact. energy: -0.653 local terms energy: -75.943419 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -16.888 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -20.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -191.495146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.495146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.495146 (E_RNA) where: Base-Base interactions energy: -128.027 where: short stacking energy: -61.958 Base-Backbone interact. energy: -0.034 local terms energy: -63.434779 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -10.228 tors. eta vs tors. theta energy: -14.022 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: 102 Temperature: 1.300000 Total energy: -100.221664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.221664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.221664 (E_RNA) where: Base-Base interactions energy: -55.542 where: short stacking energy: -36.834 Base-Backbone interact. energy: 1.243 local terms energy: -45.922985 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -10.254 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -102.212999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.212999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.212999 (E_RNA) where: Base-Base interactions energy: -52.953 where: short stacking energy: -27.824 Base-Backbone interact. energy: -0.166 local terms energy: -49.094023 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -12.111 flat angles C4'-P-C4' energy: -17.058 flat angles P-C4'-P energy: -1.189 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: 1, replica: 6 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -281.031046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.031046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.031046 (E_RNA) where: Base-Base interactions energy: -200.605 where: short stacking energy: -85.948 Base-Backbone interact. energy: -0.637 local terms energy: -79.789113 where: bonds (distance) C4'-P energy: -17.759 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -20.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -283.485648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.485648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.485648 (E_RNA) where: Base-Base interactions energy: -205.766 where: short stacking energy: -79.338 Base-Backbone interact. energy: -0.089 local terms energy: -77.630792 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -15.342 flat angles C4'-P-C4' energy: -18.608 flat angles P-C4'-P energy: -11.884 tors. eta vs tors. theta energy: -15.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -269.753677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.753677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.753677 (E_RNA) where: Base-Base interactions energy: -198.241 where: short stacking energy: -78.813 Base-Backbone interact. energy: -2.387 local terms energy: -69.125087 where: bonds (distance) C4'-P energy: -17.453 bonds (distance) P-C4' energy: -12.407 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -280.968048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.968048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.968048 (E_RNA) where: Base-Base interactions energy: -195.552 where: short stacking energy: -77.480 Base-Backbone interact. energy: 0.122 local terms energy: -85.538214 where: bonds (distance) C4'-P energy: -16.332 bonds (distance) P-C4' energy: -18.663 flat angles C4'-P-C4' energy: -19.214 flat angles P-C4'-P energy: -11.976 tors. eta vs tors. theta energy: -19.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -252.734588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.734588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.734588 (E_RNA) where: Base-Base interactions energy: -185.121 where: short stacking energy: -82.802 Base-Backbone interact. energy: -0.890 local terms energy: -66.723983 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -18.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -217.126670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.126670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.126670 (E_RNA) where: Base-Base interactions energy: -147.001 where: short stacking energy: -73.887 Base-Backbone interact. energy: -0.206 local terms energy: -69.919383 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -13.359 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -208.697745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.697745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.697745 (E_RNA) where: Base-Base interactions energy: -132.633 where: short stacking energy: -71.850 Base-Backbone interact. energy: 0.838 local terms energy: -76.902500 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -21.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -210.127386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.127386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.127386 (E_RNA) where: Base-Base interactions energy: -144.400 where: short stacking energy: -68.264 Base-Backbone interact. energy: -1.010 local terms energy: -64.716741 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -13.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -139.494653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.494653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.494653 (E_RNA) where: Base-Base interactions energy: -83.991 where: short stacking energy: -54.194 Base-Backbone interact. energy: -0.099 local terms energy: -55.404296 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -15.605 flat angles C4'-P-C4' energy: -15.720 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -6.436 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: 103 Temperature: 1.350000 Total energy: -103.706034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.706034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.706034 (E_RNA) where: Base-Base interactions energy: -47.157 where: short stacking energy: -47.157 Base-Backbone interact. energy: -0.031 local terms energy: -56.518510 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -18.630 flat angles C4'-P-C4' energy: -9.503 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -7.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -281.170749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.170749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.170749 (E_RNA) where: Base-Base interactions energy: -198.016 where: short stacking energy: -84.231 Base-Backbone interact. energy: -0.167 local terms energy: -82.988115 where: bonds (distance) C4'-P energy: -17.162 bonds (distance) P-C4' energy: -18.132 flat angles C4'-P-C4' energy: -17.733 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -19.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -286.298884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.298884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.298884 (E_RNA) where: Base-Base interactions energy: -204.544 where: short stacking energy: -85.097 Base-Backbone interact. energy: -0.190 local terms energy: -81.564770 where: bonds (distance) C4'-P energy: -17.785 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -19.344 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -277.357698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.357698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.357698 (E_RNA) where: Base-Base interactions energy: -198.481 where: short stacking energy: -85.105 Base-Backbone interact. energy: 0.267 local terms energy: -79.143719 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -16.506 flat angles C4'-P-C4' energy: -17.960 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -21.878 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: 4, replica: 5 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -258.179106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.179106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.179106 (E_RNA) where: Base-Base interactions energy: -177.334 where: short stacking energy: -69.931 Base-Backbone interact. energy: -2.061 local terms energy: -78.783264 where: bonds (distance) C4'-P energy: -18.779 bonds (distance) P-C4' energy: -18.182 flat angles C4'-P-C4' energy: -16.094 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -14.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -253.939650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.939650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.939650 (E_RNA) where: Base-Base interactions energy: -177.860 where: short stacking energy: -79.121 Base-Backbone interact. energy: -1.549 local terms energy: -74.530042 where: bonds (distance) C4'-P energy: -15.231 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -18.592 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -207.064629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.064629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.064629 (E_RNA) where: Base-Base interactions energy: -146.220 where: short stacking energy: -75.302 Base-Backbone interact. energy: -0.012 local terms energy: -60.833082 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -18.769 flat angles P-C4'-P energy: -5.275 tors. eta vs tors. theta energy: -15.263 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -204.483671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.483671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.483671 (E_RNA) where: Base-Base interactions energy: -139.932 where: short stacking energy: -55.052 Base-Backbone interact. energy: -0.406 local terms energy: -64.145781 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -15.612 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -8.128 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: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -207.242431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.242431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.242431 (E_RNA) where: Base-Base interactions energy: -136.275 where: short stacking energy: -74.589 Base-Backbone interact. energy: -0.219 local terms energy: -70.748754 where: bonds (distance) C4'-P energy: -16.597 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -17.350 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: 104 Temperature: 1.300000 Total energy: -128.506994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.506994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.506994 (E_RNA) where: Base-Base interactions energy: -77.455 where: short stacking energy: -51.965 Base-Backbone interact. energy: -0.025 local terms energy: -51.027598 where: bonds (distance) C4'-P energy: -10.006 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -6.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -91.865691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.865691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.865691 (E_RNA) where: Base-Base interactions energy: -37.440 where: short stacking energy: -32.522 Base-Backbone interact. energy: 0.108 local terms energy: -54.533484 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -4.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -289.373153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.373153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.373153 (E_RNA) where: Base-Base interactions energy: -205.018 where: short stacking energy: -89.561 Base-Backbone interact. energy: -1.123 local terms energy: -83.232222 where: bonds (distance) C4'-P energy: -19.395 bonds (distance) P-C4' energy: -16.585 flat angles C4'-P-C4' energy: -15.355 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -18.787 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: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -285.441316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.441316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.441316 (E_RNA) where: Base-Base interactions energy: -200.482 where: short stacking energy: -82.234 Base-Backbone interact. energy: -0.328 local terms energy: -84.631322 where: bonds (distance) C4'-P energy: -15.745 bonds (distance) P-C4' energy: -19.314 flat angles C4'-P-C4' energy: -18.640 flat angles P-C4'-P energy: -11.001 tors. eta vs tors. theta energy: -19.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -282.190156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.190156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.190156 (E_RNA) where: Base-Base interactions energy: -198.753 where: short stacking energy: -84.092 Base-Backbone interact. energy: -0.061 local terms energy: -83.375919 where: bonds (distance) C4'-P energy: -17.432 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -24.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -264.968798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.968798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.968798 (E_RNA) where: Base-Base interactions energy: -190.533 where: short stacking energy: -68.379 Base-Backbone interact. energy: -0.857 local terms energy: -73.578628 where: bonds (distance) C4'-P energy: -16.092 bonds (distance) P-C4' energy: -17.191 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -12.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -265.865928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.865928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.865928 (E_RNA) where: Base-Base interactions energy: -185.283 where: short stacking energy: -82.875 Base-Backbone interact. energy: -0.067 local terms energy: -80.516136 where: bonds (distance) C4'-P energy: -14.638 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -15.870 flat angles P-C4'-P energy: -12.380 tors. eta vs tors. theta energy: -21.944 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: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -206.543402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.543402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.543402 (E_RNA) where: Base-Base interactions energy: -128.901 where: short stacking energy: -63.340 Base-Backbone interact. energy: 0.193 local terms energy: -77.835109 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -17.372 flat angles P-C4'-P energy: -13.455 tors. eta vs tors. theta energy: -12.904 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: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -201.748125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.748125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.748125 (E_RNA) where: Base-Base interactions energy: -134.280 where: short stacking energy: -67.190 Base-Backbone interact. energy: -0.014 local terms energy: -67.454424 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -12.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -198.168724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.168724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.168724 (E_RNA) where: Base-Base interactions energy: -133.446 where: short stacking energy: -69.205 Base-Backbone interact. energy: -0.185 local terms energy: -64.537414 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -12.514 tors. eta vs tors. theta energy: -15.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -105.630055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.630055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.630055 (E_RNA) where: Base-Base interactions energy: -59.559 where: short stacking energy: -27.010 Base-Backbone interact. energy: -0.293 local terms energy: -45.777225 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -4.728 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: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -92.063028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.063028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.063028 (E_RNA) where: Base-Base interactions energy: -40.900 where: short stacking energy: -29.451 Base-Backbone interact. energy: -0.168 local terms energy: -50.995787 where: bonds (distance) C4'-P energy: -15.374 bonds (distance) P-C4' energy: -9.977 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -288.076549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.076549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.076549 (E_RNA) where: Base-Base interactions energy: -205.819 where: short stacking energy: -82.536 Base-Backbone interact. energy: -0.687 local terms energy: -81.570710 where: bonds (distance) C4'-P energy: -18.181 bonds (distance) P-C4' energy: -14.541 flat angles C4'-P-C4' energy: -18.186 flat angles P-C4'-P energy: -10.621 tors. eta vs tors. theta energy: -20.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -282.557898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.557898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.557898 (E_RNA) where: Base-Base interactions energy: -197.246 where: short stacking energy: -83.735 Base-Backbone interact. energy: -0.774 local terms energy: -84.538137 where: bonds (distance) C4'-P energy: -16.499 bonds (distance) P-C4' energy: -15.335 flat angles C4'-P-C4' energy: -19.099 flat angles P-C4'-P energy: -12.391 tors. eta vs tors. theta energy: -21.214 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: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -269.562766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.562766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.562766 (E_RNA) where: Base-Base interactions energy: -192.833 where: short stacking energy: -74.694 Base-Backbone interact. energy: -0.343 local terms energy: -76.386303 where: bonds (distance) C4'-P energy: -16.858 bonds (distance) P-C4' energy: -15.434 flat angles C4'-P-C4' energy: -17.533 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -13.994 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: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -279.137323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.137323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.137323 (E_RNA) where: Base-Base interactions energy: -197.383 where: short stacking energy: -85.623 Base-Backbone interact. energy: -0.105 local terms energy: -81.649536 where: bonds (distance) C4'-P energy: -17.627 bonds (distance) P-C4' energy: -17.135 flat angles C4'-P-C4' energy: -17.556 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -19.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -255.926799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.926799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.926799 (E_RNA) where: Base-Base interactions energy: -174.080 where: short stacking energy: -81.661 Base-Backbone interact. energy: -0.229 local terms energy: -81.617260 where: bonds (distance) C4'-P energy: -15.395 bonds (distance) P-C4' energy: -18.507 flat angles C4'-P-C4' energy: -18.183 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -20.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -199.397895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.397895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.397895 (E_RNA) where: Base-Base interactions energy: -132.020 where: short stacking energy: -60.079 Base-Backbone interact. energy: -0.133 local terms energy: -67.244959 where: bonds (distance) C4'-P energy: -14.471 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -16.489 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -12.688 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: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -208.150385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.150385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.150385 (E_RNA) where: Base-Base interactions energy: -138.979 where: short stacking energy: -70.719 Base-Backbone interact. energy: -0.008 local terms energy: -69.162935 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -11.611 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -11.091 tors. eta vs tors. theta energy: -16.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -195.188122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.188122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.188122 (E_RNA) where: Base-Base interactions energy: -128.346 where: short stacking energy: -65.232 Base-Backbone interact. energy: -0.045 local terms energy: -66.797200 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -10.779 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -20.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -100.636967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.636967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.636967 (E_RNA) where: Base-Base interactions energy: -45.030 where: short stacking energy: -36.225 Base-Backbone interact. energy: -0.285 local terms energy: -55.322441 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -102.943921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.943921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.943921 (E_RNA) where: Base-Base interactions energy: -59.743 where: short stacking energy: -32.150 Base-Backbone interact. energy: 0.312 local terms energy: -43.512556 where: bonds (distance) C4'-P energy: -5.010 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -9.504 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: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -288.452284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.452284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.452284 (E_RNA) where: Base-Base interactions energy: -211.563 where: short stacking energy: -81.467 Base-Backbone interact. energy: -0.146 local terms energy: -76.743408 where: bonds (distance) C4'-P energy: -15.230 bonds (distance) P-C4' energy: -19.384 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -12.039 tors. eta vs tors. theta energy: -15.749 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: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -281.072610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.072610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.072610 (E_RNA) where: Base-Base interactions energy: -206.222 where: short stacking energy: -87.210 Base-Backbone interact. energy: -0.283 local terms energy: -74.567225 where: bonds (distance) C4'-P energy: -14.820 bonds (distance) P-C4' energy: -15.502 flat angles C4'-P-C4' energy: -16.962 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -16.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -262.441115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.441115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.441115 (E_RNA) where: Base-Base interactions energy: -184.696 where: short stacking energy: -73.033 Base-Backbone interact. energy: -0.174 local terms energy: -77.571242 where: bonds (distance) C4'-P energy: -15.765 bonds (distance) P-C4' energy: -19.704 flat angles C4'-P-C4' energy: -13.873 flat angles P-C4'-P energy: -13.116 tors. eta vs tors. theta energy: -15.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -282.827180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.827180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.827180 (E_RNA) where: Base-Base interactions energy: -203.875 where: short stacking energy: -82.227 Base-Backbone interact. energy: -0.265 local terms energy: -78.687455 where: bonds (distance) C4'-P energy: -11.304 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -19.293 flat angles P-C4'-P energy: -12.716 tors. eta vs tors. theta energy: -20.199 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: 107 Temperature: 1.100000 Total energy: -250.927006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.927006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.927006 (E_RNA) where: Base-Base interactions energy: -178.503 where: short stacking energy: -73.238 Base-Backbone interact. energy: -0.076 local terms energy: -72.348423 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -18.734 flat angles C4'-P-C4' energy: -14.611 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -15.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -223.794187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.794187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.794187 (E_RNA) where: Base-Base interactions energy: -149.514 where: short stacking energy: -72.198 Base-Backbone interact. energy: -0.088 local terms energy: -74.192014 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -16.733 flat angles C4'-P-C4' energy: -18.021 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -205.209380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.209380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.209380 (E_RNA) where: Base-Base interactions energy: -127.313 where: short stacking energy: -71.351 Base-Backbone interact. energy: -0.704 local terms energy: -77.191622 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -19.226 flat angles P-C4'-P energy: -11.923 tors. eta vs tors. theta energy: -16.259 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: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -217.210001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.210001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.210001 (E_RNA) where: Base-Base interactions energy: -142.369 where: short stacking energy: -83.351 Base-Backbone interact. energy: -0.776 local terms energy: -74.064735 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -18.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -137.135557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.135557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.135557 (E_RNA) where: Base-Base interactions energy: -84.325 where: short stacking energy: -50.001 Base-Backbone interact. energy: -0.123 local terms energy: -52.686746 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -4.419 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: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -144.034811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.034811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.034811 (E_RNA) where: Base-Base interactions energy: -82.529 where: short stacking energy: -53.272 Base-Backbone interact. energy: -0.049 local terms energy: -61.457033 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -15.246 flat angles C4'-P-C4' energy: -12.709 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -9.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -280.370416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.370416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.370416 (E_RNA) where: Base-Base interactions energy: -203.411 where: short stacking energy: -84.463 Base-Backbone interact. energy: -0.419 local terms energy: -76.539704 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -17.765 flat angles P-C4'-P energy: -11.383 tors. eta vs tors. theta energy: -19.293 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: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -277.901009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.901009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.901009 (E_RNA) where: Base-Base interactions energy: -202.070 where: short stacking energy: -85.014 Base-Backbone interact. energy: -0.197 local terms energy: -75.634289 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -13.124 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -275.993428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.993428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.993428 (E_RNA) where: Base-Base interactions energy: -194.894 where: short stacking energy: -78.782 Base-Backbone interact. energy: -1.992 local terms energy: -79.107831 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -16.547 flat angles C4'-P-C4' energy: -17.910 flat angles P-C4'-P energy: -13.201 tors. eta vs tors. theta energy: -17.287 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: 5 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -264.286379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.286379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.286379 (E_RNA) where: Base-Base interactions energy: -195.213 where: short stacking energy: -78.139 Base-Backbone interact. energy: -1.380 local terms energy: -67.693394 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -15.272 flat angles P-C4'-P energy: -10.047 tors. eta vs tors. theta energy: -14.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -256.762280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.762280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.762280 (E_RNA) where: Base-Base interactions energy: -182.822 where: short stacking energy: -73.794 Base-Backbone interact. energy: -0.404 local terms energy: -73.536611 where: bonds (distance) C4'-P energy: -17.231 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -16.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -225.126347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.126347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.126347 (E_RNA) where: Base-Base interactions energy: -155.832 where: short stacking energy: -76.208 Base-Backbone interact. energy: -0.012 local terms energy: -69.282107 where: bonds (distance) C4'-P energy: -17.764 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -15.881 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: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -217.396154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.396154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.396154 (E_RNA) where: Base-Base interactions energy: -145.925 where: short stacking energy: -77.956 Base-Backbone interact. energy: -0.132 local terms energy: -71.339674 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -18.459 flat angles P-C4'-P energy: -8.283 tors. eta vs tors. theta energy: -15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -181.284792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.284792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.284792 (E_RNA) where: Base-Base interactions energy: -116.007 where: short stacking energy: -59.580 Base-Backbone interact. energy: -0.160 local terms energy: -65.117707 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -140.127620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.127620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.127620 (E_RNA) where: Base-Base interactions energy: -78.410 where: short stacking energy: -43.371 Base-Backbone interact. energy: -1.397 local terms energy: -60.321568 where: bonds (distance) C4'-P energy: -10.149 bonds (distance) P-C4' energy: -18.501 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -12.916 tors. eta vs tors. theta energy: -5.856 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: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -114.324118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.324118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.324118 (E_RNA) where: Base-Base interactions energy: -59.989 where: short stacking energy: -31.885 Base-Backbone interact. energy: 0.240 local terms energy: -54.574850 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -12.988 flat angles P-C4'-P energy: -11.415 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: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -295.509645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.509645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.509645 (E_RNA) where: Base-Base interactions energy: -210.786 where: short stacking energy: -92.689 Base-Backbone interact. energy: -1.460 local terms energy: -83.263074 where: bonds (distance) C4'-P energy: -17.873 bonds (distance) P-C4' energy: -17.430 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -284.197793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.197793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.197793 (E_RNA) where: Base-Base interactions energy: -204.149 where: short stacking energy: -87.523 Base-Backbone interact. energy: -0.430 local terms energy: -79.618626 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -17.112 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -20.415 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: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -277.385872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.385872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.385872 (E_RNA) where: Base-Base interactions energy: -200.099 where: short stacking energy: -84.993 Base-Backbone interact. energy: -0.038 local terms energy: -77.248607 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -14.866 flat angles C4'-P-C4' energy: -17.152 flat angles P-C4'-P energy: -14.827 tors. eta vs tors. theta energy: -16.267 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: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -259.106021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.106021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.106021 (E_RNA) where: Base-Base interactions energy: -184.569 where: short stacking energy: -77.549 Base-Backbone interact. energy: 0.002 local terms energy: -74.539705 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -16.707 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -18.668 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: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -249.875601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.875601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.875601 (E_RNA) where: Base-Base interactions energy: -181.307 where: short stacking energy: -73.814 Base-Backbone interact. energy: 0.373 local terms energy: -68.941521 where: bonds (distance) C4'-P energy: -15.399 bonds (distance) P-C4' energy: -17.629 flat angles C4'-P-C4' energy: -10.764 flat angles P-C4'-P energy: -13.081 tors. eta vs tors. theta energy: -12.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -202.582390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.582390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.582390 (E_RNA) where: Base-Base interactions energy: -127.038 where: short stacking energy: -72.078 Base-Backbone interact. energy: -0.066 local terms energy: -75.478255 where: bonds (distance) C4'-P energy: -16.742 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -18.053 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -14.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -222.630385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.630385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.630385 (E_RNA) where: Base-Base interactions energy: -147.786 where: short stacking energy: -74.399 Base-Backbone interact. energy: -0.154 local terms energy: -74.690387 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -19.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -188.785348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.785348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.785348 (E_RNA) where: Base-Base interactions energy: -119.736 where: short stacking energy: -55.177 Base-Backbone interact. energy: -0.109 local terms energy: -68.940117 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -12.918 tors. eta vs tors. theta energy: -10.172 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: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -141.884420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.884420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.884420 (E_RNA) where: Base-Base interactions energy: -88.706 where: short stacking energy: -41.949 Base-Backbone interact. energy: -0.224 local terms energy: -52.954328 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -1.784 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: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -134.942416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.942416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.942416 (E_RNA) where: Base-Base interactions energy: -84.192 where: short stacking energy: -39.673 Base-Backbone interact. energy: -0.175 local terms energy: -50.575743 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -9.353 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -290.551928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.551928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.551928 (E_RNA) where: Base-Base interactions energy: -206.640 where: short stacking energy: -87.200 Base-Backbone interact. energy: -1.347 local terms energy: -82.565149 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -19.430 flat angles P-C4'-P energy: -13.531 tors. eta vs tors. theta energy: -18.876 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -278.020489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.020489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.020489 (E_RNA) where: Base-Base interactions energy: -196.217 where: short stacking energy: -76.627 Base-Backbone interact. energy: -1.515 local terms energy: -80.287882 where: bonds (distance) C4'-P energy: -12.596 bonds (distance) P-C4' energy: -19.761 flat angles C4'-P-C4' energy: -18.669 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -19.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -273.320565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.320565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.320565 (E_RNA) where: Base-Base interactions energy: -191.991 where: short stacking energy: -78.914 Base-Backbone interact. energy: -0.918 local terms energy: -80.411472 where: bonds (distance) C4'-P energy: -19.614 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -17.473 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -20.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -272.988654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.988654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.988654 (E_RNA) where: Base-Base interactions energy: -193.923 where: short stacking energy: -76.827 Base-Backbone interact. energy: -0.891 local terms energy: -78.174475 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -18.516 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -13.282 tors. eta vs tors. theta energy: -17.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -256.876090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.876090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.876090 (E_RNA) where: Base-Base interactions energy: -195.811 where: short stacking energy: -77.564 Base-Backbone interact. energy: -1.447 local terms energy: -59.618532 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -15.825 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -12.893 tors. eta vs tors. theta energy: -10.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -212.339309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.339309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.339309 (E_RNA) where: Base-Base interactions energy: -137.522 where: short stacking energy: -70.877 Base-Backbone interact. energy: -0.038 local terms energy: -74.780035 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -17.510 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -17.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -224.101713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.101713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.101713 (E_RNA) where: Base-Base interactions energy: -149.247 where: short stacking energy: -78.784 Base-Backbone interact. energy: -0.017 local terms energy: -74.837668 where: bonds (distance) C4'-P energy: -15.912 bonds (distance) P-C4' energy: -16.782 flat angles C4'-P-C4' energy: -17.142 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -15.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -212.574350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.574350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.574350 (E_RNA) where: Base-Base interactions energy: -154.881 where: short stacking energy: -48.895 Base-Backbone interact. energy: -0.523 local terms energy: -57.169748 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -19.475 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -8.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -147.405642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.405642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.405642 (E_RNA) where: Base-Base interactions energy: -88.936 where: short stacking energy: -60.924 Base-Backbone interact. energy: 4.802 local terms energy: -63.271107 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -15.425 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -11.018 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: 10, replica: 2 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -98.703096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.703096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.703096 (E_RNA) where: Base-Base interactions energy: -43.186 where: short stacking energy: -29.783 Base-Backbone interact. energy: -0.443 local terms energy: -55.074066 where: bonds (distance) C4'-P energy: -16.346 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -9.806 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -286.974797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.974797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.974797 (E_RNA) where: Base-Base interactions energy: -207.775 where: short stacking energy: -81.684 Base-Backbone interact. energy: -1.007 local terms energy: -78.193114 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -18.764 flat angles P-C4'-P energy: -12.462 tors. eta vs tors. theta energy: -17.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -278.106896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.106896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.106896 (E_RNA) where: Base-Base interactions energy: -202.809 where: short stacking energy: -83.305 Base-Backbone interact. energy: -0.105 local terms energy: -75.193578 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -18.463 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -266.304857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.304857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.304857 (E_RNA) where: Base-Base interactions energy: -182.722 where: short stacking energy: -83.316 Base-Backbone interact. energy: -0.519 local terms energy: -83.063606 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -16.862 flat angles C4'-P-C4' energy: -17.875 flat angles P-C4'-P energy: -12.870 tors. eta vs tors. theta energy: -19.146 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: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -270.187022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.187022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.187022 (E_RNA) where: Base-Base interactions energy: -190.609 where: short stacking energy: -71.266 Base-Backbone interact. energy: -0.901 local terms energy: -78.677095 where: bonds (distance) C4'-P energy: -18.492 bonds (distance) P-C4' energy: -18.451 flat angles C4'-P-C4' energy: -19.905 flat angles P-C4'-P energy: -7.965 tors. eta vs tors. theta energy: -13.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -265.044983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.044983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.044983 (E_RNA) where: Base-Base interactions energy: -194.030 where: short stacking energy: -73.892 Base-Backbone interact. energy: -0.377 local terms energy: -70.638415 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -13.237 flat angles C4'-P-C4' energy: -17.648 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -16.325 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: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -219.861273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.861273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.861273 (E_RNA) where: Base-Base interactions energy: -148.269 where: short stacking energy: -75.230 Base-Backbone interact. energy: -0.094 local terms energy: -71.498442 where: bonds (distance) C4'-P energy: -18.650 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -17.247 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -16.186 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: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -201.511335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.511335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.511335 (E_RNA) where: Base-Base interactions energy: -131.531 where: short stacking energy: -61.777 Base-Backbone interact. energy: -1.046 local terms energy: -68.934559 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -222.166495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.166495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.166495 (E_RNA) where: Base-Base interactions energy: -142.217 where: short stacking energy: -77.287 Base-Backbone interact. energy: -0.285 local terms energy: -79.664628 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -22.144 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: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -176.726781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.726781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.726781 (E_RNA) where: Base-Base interactions energy: -120.447 where: short stacking energy: -62.218 Base-Backbone interact. energy: 0.768 local terms energy: -57.047456 where: bonds (distance) C4'-P energy: -15.280 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -10.576 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: 2 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -121.731664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.731664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.731664 (E_RNA) where: Base-Base interactions energy: -77.628 where: short stacking energy: -44.958 Base-Backbone interact. energy: 1.131 local terms energy: -45.234662 where: bonds (distance) C4'-P energy: -8.244 bonds (distance) P-C4' energy: -11.064 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -3.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -278.700158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.700158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.700158 (E_RNA) where: Base-Base interactions energy: -197.514 where: short stacking energy: -79.054 Base-Backbone interact. energy: -0.099 local terms energy: -81.086859 where: bonds (distance) C4'-P energy: -17.673 bonds (distance) P-C4' energy: -17.504 flat angles C4'-P-C4' energy: -19.539 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -18.518 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: 112 Temperature: 0.950000 Total energy: -280.018401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.018401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.018401 (E_RNA) where: Base-Base interactions energy: -198.581 where: short stacking energy: -80.023 Base-Backbone interact. energy: -0.079 local terms energy: -81.359100 where: bonds (distance) C4'-P energy: -16.903 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -17.375 flat angles P-C4'-P energy: -11.859 tors. eta vs tors. theta energy: -21.235 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: 8 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -275.019003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.019003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.019003 (E_RNA) where: Base-Base interactions energy: -194.576 where: short stacking energy: -80.199 Base-Backbone interact. energy: -0.770 local terms energy: -79.673534 where: bonds (distance) C4'-P energy: -18.852 bonds (distance) P-C4' energy: -18.700 flat angles C4'-P-C4' energy: -16.471 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -17.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -261.300406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.300406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.300406 (E_RNA) where: Base-Base interactions energy: -196.822 where: short stacking energy: -77.130 Base-Backbone interact. energy: -0.852 local terms energy: -63.626999 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -13.508 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -15.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -257.500717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.500717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.500717 (E_RNA) where: Base-Base interactions energy: -183.329 where: short stacking energy: -72.378 Base-Backbone interact. energy: -0.253 local terms energy: -73.919411 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -18.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -220.386607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.386607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.386607 (E_RNA) where: Base-Base interactions energy: -154.074 where: short stacking energy: -68.170 Base-Backbone interact. energy: -1.219 local terms energy: -65.093516 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -18.489 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -202.335440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.335440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.335440 (E_RNA) where: Base-Base interactions energy: -125.133 where: short stacking energy: -64.335 Base-Backbone interact. energy: -0.019 local terms energy: -77.182840 where: bonds (distance) C4'-P energy: -17.669 bonds (distance) P-C4' energy: -18.513 flat angles C4'-P-C4' energy: -18.943 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -14.354 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: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -197.117894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.117894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.117894 (E_RNA) where: Base-Base interactions energy: -132.600 where: short stacking energy: -72.674 Base-Backbone interact. energy: -0.071 local terms energy: -64.446913 where: bonds (distance) C4'-P energy: -9.380 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -19.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -191.593003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.593003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.593003 (E_RNA) where: Base-Base interactions energy: -133.085 where: short stacking energy: -57.694 Base-Backbone interact. energy: 0.991 local terms energy: -59.498325 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -15.728 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -13.171 tors. eta vs tors. theta energy: -9.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -95.762162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.762162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.762162 (E_RNA) where: Base-Base interactions energy: -45.985 where: short stacking energy: -33.022 Base-Backbone interact. energy: -0.228 local terms energy: -49.548675 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -10.996 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -283.985360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.985360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.985360 (E_RNA) where: Base-Base interactions energy: -199.462 where: short stacking energy: -76.469 Base-Backbone interact. energy: -0.051 local terms energy: -84.472888 where: bonds (distance) C4'-P energy: -17.623 bonds (distance) P-C4' energy: -17.777 flat angles C4'-P-C4' energy: -17.058 flat angles P-C4'-P energy: -15.204 tors. eta vs tors. theta energy: -16.810 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: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -270.374891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.374891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.374891 (E_RNA) where: Base-Base interactions energy: -192.419 where: short stacking energy: -80.789 Base-Backbone interact. energy: -0.156 local terms energy: -77.799216 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -20.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -274.774376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.774376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.774376 (E_RNA) where: Base-Base interactions energy: -193.319 where: short stacking energy: -80.760 Base-Backbone interact. energy: -0.111 local terms energy: -81.343609 where: bonds (distance) C4'-P energy: -16.987 bonds (distance) P-C4' energy: -19.284 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -13.058 tors. eta vs tors. theta energy: -19.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -260.067109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.067109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.067109 (E_RNA) where: Base-Base interactions energy: -190.538 where: short stacking energy: -69.225 Base-Backbone interact. energy: 0.289 local terms energy: -69.817735 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -16.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -274.757419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.757419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.757419 (E_RNA) where: Base-Base interactions energy: -189.870 where: short stacking energy: -72.931 Base-Backbone interact. energy: -0.579 local terms energy: -84.309137 where: bonds (distance) C4'-P energy: -16.394 bonds (distance) P-C4' energy: -18.445 flat angles C4'-P-C4' energy: -17.496 flat angles P-C4'-P energy: -15.317 tors. eta vs tors. theta energy: -16.656 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: 9 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -213.989505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.989505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.989505 (E_RNA) where: Base-Base interactions energy: -142.733 where: short stacking energy: -78.416 Base-Backbone interact. energy: -0.848 local terms energy: -70.408341 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -10.086 flat angles C4'-P-C4' energy: -18.048 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -16.279 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: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -214.656347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.656347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.656347 (E_RNA) where: Base-Base interactions energy: -136.689 where: short stacking energy: -71.368 Base-Backbone interact. energy: -0.032 local terms energy: -77.934951 where: bonds (distance) C4'-P energy: -16.293 bonds (distance) P-C4' energy: -14.397 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -12.453 tors. eta vs tors. theta energy: -19.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -197.462306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.462306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.462306 (E_RNA) where: Base-Base interactions energy: -133.984 where: short stacking energy: -61.064 Base-Backbone interact. energy: -1.195 local terms energy: -62.283626 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -13.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -174.406519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.406519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.406519 (E_RNA) where: Base-Base interactions energy: -123.975 where: short stacking energy: -56.368 Base-Backbone interact. energy: -0.286 local terms energy: -50.145561 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -15.698 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -7.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -101.465008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.465008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.465008 (E_RNA) where: Base-Base interactions energy: -50.020 where: short stacking energy: -50.020 Base-Backbone interact. energy: -0.046 local terms energy: -51.399670 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -9.006 tors. eta vs tors. theta energy: -8.146 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: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -284.429971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.429971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.429971 (E_RNA) where: Base-Base interactions energy: -200.161 where: short stacking energy: -84.811 Base-Backbone interact. energy: -0.140 local terms energy: -84.129279 where: bonds (distance) C4'-P energy: -18.766 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -16.947 flat angles P-C4'-P energy: -13.345 tors. eta vs tors. theta energy: -19.462 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: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -269.555766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.555766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.555766 (E_RNA) where: Base-Base interactions energy: -186.689 where: short stacking energy: -81.958 Base-Backbone interact. energy: -0.378 local terms energy: -82.488166 where: bonds (distance) C4'-P energy: -16.609 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -21.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -267.252839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.252839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.252839 (E_RNA) where: Base-Base interactions energy: -193.817 where: short stacking energy: -75.974 Base-Backbone interact. energy: -1.171 local terms energy: -72.264748 where: bonds (distance) C4'-P energy: -17.648 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -269.554165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.554165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.554165 (E_RNA) where: Base-Base interactions energy: -196.163 where: short stacking energy: -84.431 Base-Backbone interact. energy: -0.263 local terms energy: -73.128203 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -18.251 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -18.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -205.345439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.345439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.345439 (E_RNA) where: Base-Base interactions energy: -135.502 where: short stacking energy: -59.927 Base-Backbone interact. energy: 0.024 local terms energy: -69.868233 where: bonds (distance) C4'-P energy: -17.917 bonds (distance) P-C4' energy: -16.092 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -11.409 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: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -259.691910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.691910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.691910 (E_RNA) where: Base-Base interactions energy: -182.461 where: short stacking energy: -71.700 Base-Backbone interact. energy: -0.108 local terms energy: -77.122727 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -19.084 flat angles C4'-P-C4' energy: -16.279 flat angles P-C4'-P energy: -13.487 tors. eta vs tors. theta energy: -14.843 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: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -227.647855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.647855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.647855 (E_RNA) where: Base-Base interactions energy: -156.217 where: short stacking energy: -71.119 Base-Backbone interact. energy: -0.107 local terms energy: -71.323877 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -16.616 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -14.075 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: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -188.393909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.393909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.393909 (E_RNA) where: Base-Base interactions energy: -138.464 where: short stacking energy: -61.875 Base-Backbone interact. energy: -0.543 local terms energy: -49.387153 where: bonds (distance) C4'-P energy: -11.813 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -8.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -157.605449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.605449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.605449 (E_RNA) where: Base-Base interactions energy: -110.607 where: short stacking energy: -55.438 Base-Backbone interact. energy: -0.605 local terms energy: -46.393495 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -8.006 flat angles C4'-P-C4' energy: -9.726 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -7.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -113.019782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.019782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.019782 (E_RNA) where: Base-Base interactions energy: -50.093 where: short stacking energy: -37.045 Base-Backbone interact. energy: 0.979 local terms energy: -63.905168 where: bonds (distance) C4'-P energy: -11.200 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -16.998 flat angles P-C4'-P energy: -13.575 tors. eta vs tors. theta energy: -10.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -286.618669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.618669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.618669 (E_RNA) where: Base-Base interactions energy: -204.958 where: short stacking energy: -91.219 Base-Backbone interact. energy: -0.071 local terms energy: -81.589492 where: bonds (distance) C4'-P energy: -16.849 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -17.630 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -21.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -269.180297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.180297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.180297 (E_RNA) where: Base-Base interactions energy: -197.580 where: short stacking energy: -79.383 Base-Backbone interact. energy: -0.248 local terms energy: -71.351708 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -17.770 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -11.817 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: 8 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -263.185287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.185287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.185287 (E_RNA) where: Base-Base interactions energy: -189.432 where: short stacking energy: -87.737 Base-Backbone interact. energy: -0.456 local terms energy: -73.297603 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -17.939 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -19.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -269.226454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.226454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.226454 (E_RNA) where: Base-Base interactions energy: -193.838 where: short stacking energy: -81.243 Base-Backbone interact. energy: -1.067 local terms energy: -74.321481 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -18.153 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -17.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -218.478257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.478257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.478257 (E_RNA) where: Base-Base interactions energy: -146.038 where: short stacking energy: -70.758 Base-Backbone interact. energy: 0.272 local terms energy: -72.711712 where: bonds (distance) C4'-P energy: -17.046 bonds (distance) P-C4' energy: -10.886 flat angles C4'-P-C4' energy: -17.429 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -215.858350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.858350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.858350 (E_RNA) where: Base-Base interactions energy: -149.376 where: short stacking energy: -72.339 Base-Backbone interact. energy: -0.118 local terms energy: -66.364950 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -1.527 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -259.558954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.558954 (E_RNA) where: Base-Base interactions energy: -178.350 where: short stacking energy: -69.317 Base-Backbone interact. energy: -0.791 local terms energy: -80.418118 where: bonds (distance) C4'-P energy: -17.743 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -17.403 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -20.723 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: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -200.410123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.410123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.410123 (E_RNA) where: Base-Base interactions energy: -131.243 where: short stacking energy: -66.884 Base-Backbone interact. energy: -0.659 local terms energy: -68.507500 where: bonds (distance) C4'-P energy: -17.512 bonds (distance) P-C4' energy: -12.881 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -6.509 tors. eta vs tors. theta energy: -16.194 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: 115 Temperature: 1.300000 Total energy: -140.373635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.373635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.373635 (E_RNA) where: Base-Base interactions energy: -85.367 where: short stacking energy: -47.490 Base-Backbone interact. energy: -0.824 local terms energy: -54.182125 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -15.823 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -99.806773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.806773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.806773 (E_RNA) where: Base-Base interactions energy: -43.478 where: short stacking energy: -36.856 Base-Backbone interact. energy: -0.398 local terms energy: -55.930187 where: bonds (distance) C4'-P energy: -15.517 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -3.736 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: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -270.707913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.707913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.707913 (E_RNA) where: Base-Base interactions energy: -196.217 where: short stacking energy: -79.436 Base-Backbone interact. energy: 0.004 local terms energy: -74.495564 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -13.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -278.638135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.638135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.638135 (E_RNA) where: Base-Base interactions energy: -196.936 where: short stacking energy: -85.659 Base-Backbone interact. energy: -1.498 local terms energy: -80.204238 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -16.903 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -13.815 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -287.706864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.706864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.706864 (E_RNA) where: Base-Base interactions energy: -204.888 where: short stacking energy: -87.251 Base-Backbone interact. energy: -0.735 local terms energy: -82.083822 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -16.378 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -23.636 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: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -263.791572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.791572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.791572 (E_RNA) where: Base-Base interactions energy: -190.007 where: short stacking energy: -86.848 Base-Backbone interact. energy: -0.194 local terms energy: -73.590601 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -15.966 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -19.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -219.617685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.617685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.617685 (E_RNA) where: Base-Base interactions energy: -157.930 where: short stacking energy: -62.921 Base-Backbone interact. energy: -0.268 local terms energy: -61.419654 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -11.082 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -264.529569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.529569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.529569 (E_RNA) where: Base-Base interactions energy: -191.434 where: short stacking energy: -82.526 Base-Backbone interact. energy: -0.254 local terms energy: -72.841399 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -11.457 tors. eta vs tors. theta energy: -19.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -251.788251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.788251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.788251 (E_RNA) where: Base-Base interactions energy: -177.189 where: short stacking energy: -74.141 Base-Backbone interact. energy: -0.276 local terms energy: -74.323414 where: bonds (distance) C4'-P energy: -15.197 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -17.141 flat angles P-C4'-P energy: -12.957 tors. eta vs tors. theta energy: -14.330 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: 8, replica: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -189.266917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.266917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.266917 (E_RNA) where: Base-Base interactions energy: -136.845 where: short stacking energy: -48.769 Base-Backbone interact. energy: -0.173 local terms energy: -52.248849 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -16.737 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -118.864806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.864806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.864806 (E_RNA) where: Base-Base interactions energy: -72.984 where: short stacking energy: -33.587 Base-Backbone interact. energy: -0.340 local terms energy: -45.540730 where: bonds (distance) C4'-P energy: -10.643 bonds (distance) P-C4' energy: -14.679 flat angles C4'-P-C4' energy: -9.655 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: 0.069 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: 116 Temperature: 1.350000 Total energy: -99.235965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.235965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.235965 (E_RNA) where: Base-Base interactions energy: -38.958 where: short stacking energy: -29.309 Base-Backbone interact. energy: -0.297 local terms energy: -59.981199 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -19.144 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -13.409 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: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -279.954455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.954455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.954455 (E_RNA) where: Base-Base interactions energy: -200.718 where: short stacking energy: -83.744 Base-Backbone interact. energy: -0.192 local terms energy: -79.044291 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -18.713 flat angles C4'-P-C4' energy: -16.958 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -16.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -284.411456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.411456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.411456 (E_RNA) where: Base-Base interactions energy: -196.830 where: short stacking energy: -80.749 Base-Backbone interact. energy: -0.944 local terms energy: -86.636783 where: bonds (distance) C4'-P energy: -16.944 bonds (distance) P-C4' energy: -19.238 flat angles C4'-P-C4' energy: -17.155 flat angles P-C4'-P energy: -12.409 tors. eta vs tors. theta energy: -20.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -274.285228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.285228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.285228 (E_RNA) where: Base-Base interactions energy: -193.857 where: short stacking energy: -84.068 Base-Backbone interact. energy: -0.698 local terms energy: -79.730820 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -18.372 flat angles P-C4'-P energy: -11.094 tors. eta vs tors. theta energy: -18.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -264.266950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.266950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.266950 (E_RNA) where: Base-Base interactions energy: -191.911 where: short stacking energy: -73.851 Base-Backbone interact. energy: -0.565 local terms energy: -71.791837 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -17.742 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: 9 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -225.199756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.199756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.199756 (E_RNA) where: Base-Base interactions energy: -143.288 where: short stacking energy: -73.517 Base-Backbone interact. energy: -0.153 local terms energy: -81.758630 where: bonds (distance) C4'-P energy: -16.543 bonds (distance) P-C4' energy: -15.835 flat angles C4'-P-C4' energy: -17.663 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -22.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -263.755349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.755349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.755349 (E_RNA) where: Base-Base interactions energy: -184.921 where: short stacking energy: -78.073 Base-Backbone interact. energy: 0.006 local terms energy: -78.840078 where: bonds (distance) C4'-P energy: -17.971 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -17.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -255.021543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.021543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.021543 (E_RNA) where: Base-Base interactions energy: -183.924 where: short stacking energy: -80.637 Base-Backbone interact. energy: 1.497 local terms energy: -72.594385 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -16.123 flat angles C4'-P-C4' energy: -18.768 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -15.528 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: 117 Temperature: 1.250000 Total energy: -191.006329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.006329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.006329 (E_RNA) where: Base-Base interactions energy: -127.441 where: short stacking energy: -64.801 Base-Backbone interact. energy: -1.165 local terms energy: -62.400279 where: bonds (distance) C4'-P energy: -10.453 bonds (distance) P-C4' energy: -15.204 flat angles C4'-P-C4' energy: -18.121 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -11.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -111.930137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.930137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.930137 (E_RNA) where: Base-Base interactions energy: -44.690 where: short stacking energy: -44.690 Base-Backbone interact. energy: -0.104 local terms energy: -67.136090 where: bonds (distance) C4'-P energy: -15.135 bonds (distance) P-C4' energy: -17.840 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -9.379 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: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -95.211067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.211067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.211067 (E_RNA) where: Base-Base interactions energy: -45.756 where: short stacking energy: -37.010 Base-Backbone interact. energy: -0.285 local terms energy: -49.169417 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -285.491937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.491937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.491937 (E_RNA) where: Base-Base interactions energy: -207.684 where: short stacking energy: -83.608 Base-Backbone interact. energy: -0.980 local terms energy: -76.827712 where: bonds (distance) C4'-P energy: -9.906 bonds (distance) P-C4' energy: -18.062 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -12.981 tors. eta vs tors. theta energy: -22.083 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -276.106690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.106690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.106690 (E_RNA) where: Base-Base interactions energy: -202.170 where: short stacking energy: -80.968 Base-Backbone interact. energy: -0.324 local terms energy: -73.613130 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -16.619 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -12.571 tors. eta vs tors. theta energy: -12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -273.115184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.115184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.115184 (E_RNA) where: Base-Base interactions energy: -197.223 where: short stacking energy: -83.556 Base-Backbone interact. energy: 2.376 local terms energy: -78.268892 where: bonds (distance) C4'-P energy: -16.858 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -16.787 flat angles P-C4'-P energy: -8.951 tors. eta vs tors. theta energy: -19.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -281.334854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.334854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.334854 (E_RNA) where: Base-Base interactions energy: -199.783 where: short stacking energy: -85.765 Base-Backbone interact. energy: -0.653 local terms energy: -80.898917 where: bonds (distance) C4'-P energy: -16.679 bonds (distance) P-C4' energy: -14.601 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -23.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -269.430682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.430682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.430682 (E_RNA) where: Base-Base interactions energy: -193.775 where: short stacking energy: -82.674 Base-Backbone interact. energy: 0.641 local terms energy: -76.296970 where: bonds (distance) C4'-P energy: -15.310 bonds (distance) P-C4' energy: -15.474 flat angles C4'-P-C4' energy: -18.281 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -17.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -218.551970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.551970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.551970 (E_RNA) where: Base-Base interactions energy: -142.973 where: short stacking energy: -77.541 Base-Backbone interact. energy: 0.944 local terms energy: -76.522647 where: bonds (distance) C4'-P energy: -16.216 bonds (distance) P-C4' energy: -10.100 flat angles C4'-P-C4' energy: -17.261 flat angles P-C4'-P energy: -12.415 tors. eta vs tors. theta energy: -20.531 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: 118 Temperature: 1.200000 Total energy: -247.378523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.378523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.378523 (E_RNA) where: Base-Base interactions energy: -177.911 where: short stacking energy: -73.954 Base-Backbone interact. energy: 0.884 local terms energy: -70.351391 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -18.472 flat angles C4'-P-C4' energy: -15.251 flat angles P-C4'-P energy: -12.171 tors. eta vs tors. theta energy: -17.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -198.379238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.379238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.379238 (E_RNA) where: Base-Base interactions energy: -128.228 where: short stacking energy: -71.953 Base-Backbone interact. energy: -0.044 local terms energy: -70.107336 where: bonds (distance) C4'-P energy: -17.742 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -12.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -106.430581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.430581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.430581 (E_RNA) where: Base-Base interactions energy: -54.334 where: short stacking energy: -24.240 Base-Backbone interact. energy: 0.095 local terms energy: -52.191897 where: bonds (distance) C4'-P energy: -14.763 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -7.314 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: 10, replica: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -93.448756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.448756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.448756 (E_RNA) where: Base-Base interactions energy: -41.384 where: short stacking energy: -37.715 Base-Backbone interact. energy: -0.204 local terms energy: -51.860629 where: bonds (distance) C4'-P energy: -17.404 bonds (distance) P-C4' energy: -17.127 flat angles C4'-P-C4' energy: -12.080 flat angles P-C4'-P energy: -3.044 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: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -287.251252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.251252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.251252 (E_RNA) where: Base-Base interactions energy: -204.206 where: short stacking energy: -84.216 Base-Backbone interact. energy: -1.438 local terms energy: -81.607926 where: bonds (distance) C4'-P energy: -18.389 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -16.131 flat angles P-C4'-P energy: -14.234 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -269.919416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.919416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.919416 (E_RNA) where: Base-Base interactions energy: -193.676 where: short stacking energy: -89.058 Base-Backbone interact. energy: -0.517 local terms energy: -75.725777 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -16.550 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -20.366 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: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -271.330905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.330905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.330905 (E_RNA) where: Base-Base interactions energy: -196.153 where: short stacking energy: -74.403 Base-Backbone interact. energy: -1.233 local terms energy: -73.945030 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -17.784 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -14.217 tors. eta vs tors. theta energy: -13.952 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: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -280.172581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.172581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.172581 (E_RNA) where: Base-Base interactions energy: -199.242 where: short stacking energy: -83.147 Base-Backbone interact. energy: -0.104 local terms energy: -80.826958 where: bonds (distance) C4'-P energy: -17.507 bonds (distance) P-C4' energy: -18.294 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -19.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -275.461301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.461301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.461301 (E_RNA) where: Base-Base interactions energy: -194.688 where: short stacking energy: -77.454 Base-Backbone interact. energy: -0.215 local terms energy: -80.557772 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -17.453 flat angles C4'-P-C4' energy: -17.893 flat angles P-C4'-P energy: -11.946 tors. eta vs tors. theta energy: -21.596 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: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -260.766815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.766815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.766815 (E_RNA) where: Base-Base interactions energy: -178.460 where: short stacking energy: -77.438 Base-Backbone interact. energy: -0.062 local terms energy: -82.244833 where: bonds (distance) C4'-P energy: -15.420 bonds (distance) P-C4' energy: -19.269 flat angles C4'-P-C4' energy: -16.292 flat angles P-C4'-P energy: -11.720 tors. eta vs tors. theta energy: -19.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -208.535806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.535806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.535806 (E_RNA) where: Base-Base interactions energy: -141.844 where: short stacking energy: -78.208 Base-Backbone interact. energy: -0.090 local terms energy: -66.601521 where: bonds (distance) C4'-P energy: -6.871 bonds (distance) P-C4' energy: -14.211 flat angles C4'-P-C4' energy: -16.394 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -18.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -201.345805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.345805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.345805 (E_RNA) where: Base-Base interactions energy: -134.099 where: short stacking energy: -66.750 Base-Backbone interact. energy: -0.042 local terms energy: -67.205300 where: bonds (distance) C4'-P energy: -18.472 bonds (distance) P-C4' energy: -17.095 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -11.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -105.455972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.455972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.455972 (E_RNA) where: Base-Base interactions energy: -44.512 where: short stacking energy: -36.726 Base-Backbone interact. energy: -0.869 local terms energy: -60.075179 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -15.728 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -11.740 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -123.498616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.498616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.498616 (E_RNA) where: Base-Base interactions energy: -71.597 where: short stacking energy: -36.372 Base-Backbone interact. energy: 0.427 local terms energy: -52.328444 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -283.012975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.012975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.012975 (E_RNA) where: Base-Base interactions energy: -205.011 where: short stacking energy: -83.748 Base-Backbone interact. energy: -0.331 local terms energy: -77.671092 where: bonds (distance) C4'-P energy: -17.594 bonds (distance) P-C4' energy: -17.962 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -19.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -286.334476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.334476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.334476 (E_RNA) where: Base-Base interactions energy: -202.956 where: short stacking energy: -84.450 Base-Backbone interact. energy: -0.547 local terms energy: -82.831449 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -19.238 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -21.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -281.962988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.962988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.962988 (E_RNA) where: Base-Base interactions energy: -205.545 where: short stacking energy: -87.661 Base-Backbone interact. energy: -2.026 local terms energy: -74.392301 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -20.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -258.588101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.588101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.588101 (E_RNA) where: Base-Base interactions energy: -187.012 where: short stacking energy: -72.806 Base-Backbone interact. energy: -0.499 local terms energy: -71.077188 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -17.520 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -14.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -263.053557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.053557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.053557 (E_RNA) where: Base-Base interactions energy: -187.007 where: short stacking energy: -83.548 Base-Backbone interact. energy: -0.062 local terms energy: -75.983924 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -16.148 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -22.409 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: 6, replica: 10 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -262.714414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.714414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.714414 (E_RNA) where: Base-Base interactions energy: -184.220 where: short stacking energy: -80.902 Base-Backbone interact. energy: -0.094 local terms energy: -78.400076 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -12.431 tors. eta vs tors. theta energy: -21.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -194.207680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.207680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.207680 (E_RNA) where: Base-Base interactions energy: -131.038 where: short stacking energy: -66.888 Base-Backbone interact. energy: -0.189 local terms energy: -62.981172 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -13.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -205.160795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.160795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.160795 (E_RNA) where: Base-Base interactions energy: -136.012 where: short stacking energy: -69.052 Base-Backbone interact. energy: -0.814 local terms energy: -68.334866 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -17.273 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -16.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -124.357305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.357305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.357305 (E_RNA) where: Base-Base interactions energy: -65.578 where: short stacking energy: -35.018 Base-Backbone interact. energy: 0.588 local terms energy: -59.366888 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -18.173 flat angles C4'-P-C4' energy: -11.169 flat angles P-C4'-P energy: -9.187 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: 10, replica: 2 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -96.311991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.311991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.311991 (E_RNA) where: Base-Base interactions energy: -46.771 where: short stacking energy: -31.542 Base-Backbone interact. energy: -0.416 local terms energy: -49.124897 where: bonds (distance) C4'-P energy: -16.389 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -10.842 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -286.462987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.462987 (E_RNA) where: Base-Base interactions energy: -199.693 where: short stacking energy: -87.093 Base-Backbone interact. energy: -0.472 local terms energy: -86.298378 where: bonds (distance) C4'-P energy: -18.914 bonds (distance) P-C4' energy: -17.488 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -13.336 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -283.854984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.854984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.854984 (E_RNA) where: Base-Base interactions energy: -203.381 where: short stacking energy: -88.564 Base-Backbone interact. energy: -0.186 local terms energy: -80.288006 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -14.228 flat angles C4'-P-C4' energy: -17.915 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -21.970 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: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -277.174122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.174122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.174122 (E_RNA) where: Base-Base interactions energy: -196.682 where: short stacking energy: -84.894 Base-Backbone interact. energy: -0.792 local terms energy: -79.699595 where: bonds (distance) C4'-P energy: -15.474 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -14.439 tors. eta vs tors. theta energy: -17.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -267.163805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.163805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.163805 (E_RNA) where: Base-Base interactions energy: -189.094 where: short stacking energy: -79.271 Base-Backbone interact. energy: -0.131 local terms energy: -77.938058 where: bonds (distance) C4'-P energy: -16.514 bonds (distance) P-C4' energy: -15.676 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -13.122 tors. eta vs tors. theta energy: -17.470 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: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -261.602743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.602743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.602743 (E_RNA) where: Base-Base interactions energy: -188.584 where: short stacking energy: -78.247 Base-Backbone interact. energy: -0.082 local terms energy: -72.937623 where: bonds (distance) C4'-P energy: -14.079 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -17.966 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -18.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -254.408690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.408690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.408690 (E_RNA) where: Base-Base interactions energy: -181.729 where: short stacking energy: -76.598 Base-Backbone interact. energy: 0.517 local terms energy: -73.196892 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -17.969 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: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -189.991632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.991632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.991632 (E_RNA) where: Base-Base interactions energy: -124.871 where: short stacking energy: -59.684 Base-Backbone interact. energy: -0.138 local terms energy: -64.981994 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -17.753 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -12.188 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: 9 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -215.964462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.964462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.964462 (E_RNA) where: Base-Base interactions energy: -138.862 where: short stacking energy: -75.347 Base-Backbone interact. energy: -0.179 local terms energy: -76.923992 where: bonds (distance) C4'-P energy: -16.344 bonds (distance) P-C4' energy: -18.612 flat angles C4'-P-C4' energy: -10.465 flat angles P-C4'-P energy: -11.994 tors. eta vs tors. theta energy: -19.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -99.793090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.793090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.793090 (E_RNA) where: Base-Base interactions energy: -45.546 where: short stacking energy: -22.969 Base-Backbone interact. energy: -0.145 local terms energy: -54.101982 where: bonds (distance) C4'-P energy: -15.124 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: 0.865 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: 121 Temperature: 1.350000 Total energy: -83.705728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.705728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.705728 (E_RNA) where: Base-Base interactions energy: -32.719 where: short stacking energy: -32.532 Base-Backbone interact. energy: -0.239 local terms energy: -50.747679 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -291.024351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.024351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.024351 (E_RNA) where: Base-Base interactions energy: -208.243 where: short stacking energy: -91.755 Base-Backbone interact. energy: -1.327 local terms energy: -81.453909 where: bonds (distance) C4'-P energy: -17.238 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -19.170 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -17.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -269.173452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.173452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.173452 (E_RNA) where: Base-Base interactions energy: -187.871 where: short stacking energy: -83.141 Base-Backbone interact. energy: -0.394 local terms energy: -80.907957 where: bonds (distance) C4'-P energy: -15.528 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -18.003 flat angles P-C4'-P energy: -10.543 tors. eta vs tors. theta energy: -19.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -282.110655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.110655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.110655 (E_RNA) where: Base-Base interactions energy: -199.830 where: short stacking energy: -90.039 Base-Backbone interact. energy: -0.103 local terms energy: -82.177760 where: bonds (distance) C4'-P energy: -18.790 bonds (distance) P-C4' energy: -17.603 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -11.889 tors. eta vs tors. theta energy: -17.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -268.945628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.945628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.945628 (E_RNA) where: Base-Base interactions energy: -192.699 where: short stacking energy: -75.554 Base-Backbone interact. energy: -1.294 local terms energy: -74.952358 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -19.467 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -13.897 tors. eta vs tors. theta energy: -14.316 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: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -263.442573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.442573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.442573 (E_RNA) where: Base-Base interactions energy: -185.315 where: short stacking energy: -70.585 Base-Backbone interact. energy: -0.511 local terms energy: -77.616220 where: bonds (distance) C4'-P energy: -15.764 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -18.192 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -18.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -260.592824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.592824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.592824 (E_RNA) where: Base-Base interactions energy: -185.060 where: short stacking energy: -74.965 Base-Backbone interact. energy: 0.365 local terms energy: -75.897604 where: bonds (distance) C4'-P energy: -15.552 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -19.181 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -16.855 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: 9 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -195.263519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.263519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.263519 (E_RNA) where: Base-Base interactions energy: -130.144 where: short stacking energy: -61.434 Base-Backbone interact. energy: 0.558 local terms energy: -65.676931 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -10.660 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: 122 Temperature: 1.250000 Total energy: -191.172204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.172204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.172204 (E_RNA) where: Base-Base interactions energy: -140.793 where: short stacking energy: -68.599 Base-Backbone interact. energy: -0.329 local terms energy: -50.049664 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -3.735 flat angles C4'-P-C4' energy: -11.988 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -12.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -107.787604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.787604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.787604 (E_RNA) where: Base-Base interactions energy: -57.368 where: short stacking energy: -42.018 Base-Backbone interact. energy: -0.017 local terms energy: -50.403147 where: bonds (distance) C4'-P energy: -10.635 bonds (distance) P-C4' energy: -11.892 flat angles C4'-P-C4' energy: -14.617 flat angles P-C4'-P energy: -8.449 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: 10, replica: 3 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -100.355737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.355737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.355737 (E_RNA) where: Base-Base interactions energy: -45.320 where: short stacking energy: -37.248 Base-Backbone interact. energy: -0.176 local terms energy: -54.859964 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -15.977 flat angles P-C4'-P energy: -6.774 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: 6 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -287.650330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.650330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.650330 (E_RNA) where: Base-Base interactions energy: -203.140 where: short stacking energy: -88.021 Base-Backbone interact. energy: -1.894 local terms energy: -82.616627 where: bonds (distance) C4'-P energy: -17.360 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -16.980 flat angles P-C4'-P energy: -13.314 tors. eta vs tors. theta energy: -19.930 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: 123 Temperature: 0.950000 Total energy: -282.907388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.907388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.907388 (E_RNA) where: Base-Base interactions energy: -201.194 where: short stacking energy: -91.319 Base-Backbone interact. energy: -0.091 local terms energy: -81.621625 where: bonds (distance) C4'-P energy: -17.678 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -18.285 flat angles P-C4'-P energy: -10.819 tors. eta vs tors. theta energy: -17.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -270.066033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.066033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.066033 (E_RNA) where: Base-Base interactions energy: -194.008 where: short stacking energy: -85.673 Base-Backbone interact. energy: -1.157 local terms energy: -74.900606 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -17.306 flat angles C4'-P-C4' energy: -17.929 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -17.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -269.251909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.251909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.251909 (E_RNA) where: Base-Base interactions energy: -195.715 where: short stacking energy: -81.518 Base-Backbone interact. energy: -1.621 local terms energy: -71.916164 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -20.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -259.904872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.904872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.904872 (E_RNA) where: Base-Base interactions energy: -185.205 where: short stacking energy: -75.184 Base-Backbone interact. energy: -2.127 local terms energy: -72.573322 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -16.774 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -17.527 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: 123 Temperature: 1.150000 Total energy: -268.970500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.970500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.970500 (E_RNA) where: Base-Base interactions energy: -194.142 where: short stacking energy: -77.298 Base-Backbone interact. energy: -1.276 local terms energy: -73.553318 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -16.493 flat angles P-C4'-P energy: -13.171 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -198.957550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.957550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.957550 (E_RNA) where: Base-Base interactions energy: -131.752 where: short stacking energy: -69.636 Base-Backbone interact. energy: -0.229 local terms energy: -66.976734 where: bonds (distance) C4'-P energy: -15.495 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -14.727 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -15.033 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: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -198.866534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.866534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.866534 (E_RNA) where: Base-Base interactions energy: -142.992 where: short stacking energy: -59.032 Base-Backbone interact. energy: 2.035 local terms energy: -57.909199 where: bonds (distance) C4'-P energy: -9.288 bonds (distance) P-C4' energy: -15.402 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -106.883136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.883136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.883136 (E_RNA) where: Base-Base interactions energy: -50.185 where: short stacking energy: -38.254 Base-Backbone interact. energy: -1.323 local terms energy: -55.374925 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -12.459 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -5.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -104.740295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.740295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.740295 (E_RNA) where: Base-Base interactions energy: -44.476 where: short stacking energy: -44.470 Base-Backbone interact. energy: 0.460 local terms energy: -60.724236 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -8.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -283.841694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.841694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.841694 (E_RNA) where: Base-Base interactions energy: -206.398 where: short stacking energy: -85.868 Base-Backbone interact. energy: -0.103 local terms energy: -77.340835 where: bonds (distance) C4'-P energy: -18.327 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.666 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -17.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -291.622776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.622776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.622776 (E_RNA) where: Base-Base interactions energy: -202.343 where: short stacking energy: -85.141 Base-Backbone interact. energy: -0.516 local terms energy: -88.764102 where: bonds (distance) C4'-P energy: -17.176 bonds (distance) P-C4' energy: -19.743 flat angles C4'-P-C4' energy: -16.357 flat angles P-C4'-P energy: -14.125 tors. eta vs tors. theta energy: -21.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -280.608570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.608570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.608570 (E_RNA) where: Base-Base interactions energy: -198.205 where: short stacking energy: -84.460 Base-Backbone interact. energy: -0.817 local terms energy: -81.586494 where: bonds (distance) C4'-P energy: -17.467 bonds (distance) P-C4' energy: -16.996 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -13.610 tors. eta vs tors. theta energy: -18.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -265.097049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.097049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.097049 (E_RNA) where: Base-Base interactions energy: -191.264 where: short stacking energy: -85.629 Base-Backbone interact. energy: 2.023 local terms energy: -75.856012 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -15.847 flat angles C4'-P-C4' energy: -18.531 flat angles P-C4'-P energy: -12.554 tors. eta vs tors. theta energy: -16.500 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: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -266.611080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.611080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.611080 (E_RNA) where: Base-Base interactions energy: -191.213 where: short stacking energy: -74.615 Base-Backbone interact. energy: -0.853 local terms energy: -74.544974 where: bonds (distance) C4'-P energy: -15.595 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -16.042 flat angles P-C4'-P energy: -11.960 tors. eta vs tors. theta energy: -19.034 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: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -263.422979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.422979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.422979 (E_RNA) where: Base-Base interactions energy: -194.631 where: short stacking energy: -78.888 Base-Backbone interact. energy: -0.197 local terms energy: -68.595156 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -12.919 tors. eta vs tors. theta energy: -16.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -216.118567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.118567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.118567 (E_RNA) where: Base-Base interactions energy: -146.719 where: short stacking energy: -74.364 Base-Backbone interact. energy: -0.195 local terms energy: -69.204771 where: bonds (distance) C4'-P energy: -15.962 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -13.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -192.300673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.300673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.300673 (E_RNA) where: Base-Base interactions energy: -129.367 where: short stacking energy: -59.614 Base-Backbone interact. energy: -0.016 local terms energy: -62.916830 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -13.119 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -15.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -100.279587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.279587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.279587 (E_RNA) where: Base-Base interactions energy: -50.738 where: short stacking energy: -41.457 Base-Backbone interact. energy: 1.713 local terms energy: -51.254752 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -3.926 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -9.664 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: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -101.372772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.372772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.372772 (E_RNA) where: Base-Base interactions energy: -48.294 where: short stacking energy: -37.753 Base-Backbone interact. energy: 0.609 local terms energy: -53.688304 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -11.351 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -286.211485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.211485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.211485 (E_RNA) where: Base-Base interactions energy: -198.937 where: short stacking energy: -93.208 Base-Backbone interact. energy: -0.090 local terms energy: -87.184585 where: bonds (distance) C4'-P energy: -18.885 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -17.563 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -22.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -284.864471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.864471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.864471 (E_RNA) where: Base-Base interactions energy: -202.683 where: short stacking energy: -83.029 Base-Backbone interact. energy: -0.551 local terms energy: -81.630124 where: bonds (distance) C4'-P energy: -18.149 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -11.810 tors. eta vs tors. theta energy: -20.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -278.807754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.807754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.807754 (E_RNA) where: Base-Base interactions energy: -205.313 where: short stacking energy: -82.899 Base-Backbone interact. energy: -0.093 local terms energy: -73.401335 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -17.830 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -17.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -269.086455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.086455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.086455 (E_RNA) where: Base-Base interactions energy: -200.542 where: short stacking energy: -83.644 Base-Backbone interact. energy: 0.724 local terms energy: -69.268834 where: bonds (distance) C4'-P energy: -16.919 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -17.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -260.367497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.367497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.367497 (E_RNA) where: Base-Base interactions energy: -187.293 where: short stacking energy: -84.037 Base-Backbone interact. energy: 1.067 local terms energy: -74.141653 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -17.327 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -21.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -255.985306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.985306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.985306 (E_RNA) where: Base-Base interactions energy: -182.044 where: short stacking energy: -72.430 Base-Backbone interact. energy: -0.503 local terms energy: -73.437904 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -15.588 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -13.205 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -225.464703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.464703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.464703 (E_RNA) where: Base-Base interactions energy: -148.176 where: short stacking energy: -64.559 Base-Backbone interact. energy: -0.301 local terms energy: -76.987665 where: bonds (distance) C4'-P energy: -18.476 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -19.076 flat angles P-C4'-P energy: -8.758 tors. eta vs tors. theta energy: -16.575 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: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -192.307892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.307892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.307892 (E_RNA) where: Base-Base interactions energy: -125.649 where: short stacking energy: -69.796 Base-Backbone interact. energy: -0.431 local terms energy: -66.228122 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -14.609 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -16.166 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: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -95.109072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.109072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.109072 (E_RNA) where: Base-Base interactions energy: -41.002 where: short stacking energy: -40.274 Base-Backbone interact. energy: -0.092 local terms energy: -54.014763 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -17.877 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -2.867 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: 10, replica: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -94.714403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.714403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.714403 (E_RNA) where: Base-Base interactions energy: -37.644 where: short stacking energy: -37.172 Base-Backbone interact. energy: -0.015 local terms energy: -57.055393 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -18.479 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -285.514438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.514438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.514438 (E_RNA) where: Base-Base interactions energy: -205.814 where: short stacking energy: -85.404 Base-Backbone interact. energy: -0.337 local terms energy: -79.363395 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -19.023 flat angles P-C4'-P energy: -12.391 tors. eta vs tors. theta energy: -18.153 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: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -280.474002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.474002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.474002 (E_RNA) where: Base-Base interactions energy: -201.607 where: short stacking energy: -89.600 Base-Backbone interact. energy: -0.058 local terms energy: -78.808772 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -13.670 flat angles C4'-P-C4' energy: -16.275 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -20.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -274.253562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.253562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.253562 (E_RNA) where: Base-Base interactions energy: -193.527 where: short stacking energy: -80.132 Base-Backbone interact. energy: -0.033 local terms energy: -80.693526 where: bonds (distance) C4'-P energy: -17.485 bonds (distance) P-C4' energy: -17.251 flat angles C4'-P-C4' energy: -18.571 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -19.945 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: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -273.230060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.230060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.230060 (E_RNA) where: Base-Base interactions energy: -193.979 where: short stacking energy: -76.630 Base-Backbone interact. energy: -0.407 local terms energy: -78.843617 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -22.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -265.303655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.303655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.303655 (E_RNA) where: Base-Base interactions energy: -194.891 where: short stacking energy: -82.997 Base-Backbone interact. energy: -0.363 local terms energy: -70.049177 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -16.251 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -17.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -258.099690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.099690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.099690 (E_RNA) where: Base-Base interactions energy: -190.852 where: short stacking energy: -69.664 Base-Backbone interact. energy: -0.363 local terms energy: -66.884838 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -13.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -208.107795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.107795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.107795 (E_RNA) where: Base-Base interactions energy: -136.790 where: short stacking energy: -74.160 Base-Backbone interact. energy: -0.100 local terms energy: -71.218403 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -17.701 flat angles P-C4'-P energy: -10.628 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -193.502780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.502780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.502780 (E_RNA) where: Base-Base interactions energy: -121.069 where: short stacking energy: -63.950 Base-Backbone interact. energy: -0.110 local terms energy: -72.323963 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -19.719 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -12.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -103.920076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.920076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.920076 (E_RNA) where: Base-Base interactions energy: -48.889 where: short stacking energy: -46.216 Base-Backbone interact. energy: -0.215 local terms energy: -54.815931 where: bonds (distance) C4'-P energy: -15.284 bonds (distance) P-C4' energy: -11.195 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -7.225 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: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -110.742557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.742557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.742557 (E_RNA) where: Base-Base interactions energy: -48.047 where: short stacking energy: -41.703 Base-Backbone interact. energy: -0.242 local terms energy: -62.453595 where: bonds (distance) C4'-P energy: -18.185 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -17.182 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -281.321801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.321801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.321801 (E_RNA) where: Base-Base interactions energy: -197.384 where: short stacking energy: -81.965 Base-Backbone interact. energy: -0.157 local terms energy: -83.781403 where: bonds (distance) C4'-P energy: -16.232 bonds (distance) P-C4' energy: -15.372 flat angles C4'-P-C4' energy: -20.306 flat angles P-C4'-P energy: -14.427 tors. eta vs tors. theta energy: -17.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -286.497273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.497273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.497273 (E_RNA) where: Base-Base interactions energy: -197.998 where: short stacking energy: -85.556 Base-Backbone interact. energy: -0.211 local terms energy: -88.289016 where: bonds (distance) C4'-P energy: -18.125 bonds (distance) P-C4' energy: -18.683 flat angles C4'-P-C4' energy: -18.059 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -21.625 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: 127 Temperature: 1.000000 Total energy: -271.239459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.239459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.239459 (E_RNA) where: Base-Base interactions energy: -194.094 where: short stacking energy: -82.726 Base-Backbone interact. energy: -0.177 local terms energy: -76.969053 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -16.779 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -22.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -268.701993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.701993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.701993 (E_RNA) where: Base-Base interactions energy: -191.033 where: short stacking energy: -79.863 Base-Backbone interact. energy: -0.929 local terms energy: -76.739948 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -17.464 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -21.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -267.192771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.192771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.192771 (E_RNA) where: Base-Base interactions energy: -195.333 where: short stacking energy: -78.537 Base-Backbone interact. energy: -0.424 local terms energy: -71.435814 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -17.030 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -16.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -251.824025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.824025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.824025 (E_RNA) where: Base-Base interactions energy: -188.898 where: short stacking energy: -79.138 Base-Backbone interact. energy: -0.195 local terms energy: -62.731998 where: bonds (distance) C4'-P energy: -17.254 bonds (distance) P-C4' energy: -8.259 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: -9.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -216.834564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.834564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.834564 (E_RNA) where: Base-Base interactions energy: -147.503 where: short stacking energy: -84.930 Base-Backbone interact. energy: -0.599 local terms energy: -68.732461 where: bonds (distance) C4'-P energy: -11.524 bonds (distance) P-C4' energy: -12.462 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -24.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -181.569699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.569699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.569699 (E_RNA) where: Base-Base interactions energy: -128.474 where: short stacking energy: -61.191 Base-Backbone interact. energy: 3.492 local terms energy: -56.587174 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -14.958 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -14.327 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: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -93.249426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.249426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.249426 (E_RNA) where: Base-Base interactions energy: -46.438 where: short stacking energy: -44.599 Base-Backbone interact. energy: -0.388 local terms energy: -46.423199 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -7.857 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: 10, replica: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -108.255487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.255487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.255487 (E_RNA) where: Base-Base interactions energy: -58.044 where: short stacking energy: -38.579 Base-Backbone interact. energy: -0.210 local terms energy: -50.001838 where: bonds (distance) C4'-P energy: -9.513 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -9.767 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -10.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -281.279958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.279958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.279958 (E_RNA) where: Base-Base interactions energy: -202.907 where: short stacking energy: -85.529 Base-Backbone interact. energy: -0.145 local terms energy: -78.227263 where: bonds (distance) C4'-P energy: -16.764 bonds (distance) P-C4' energy: -17.403 flat angles C4'-P-C4' energy: -16.728 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -278.815703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.815703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.815703 (E_RNA) where: Base-Base interactions energy: -194.235 where: short stacking energy: -79.769 Base-Backbone interact. energy: -1.630 local terms energy: -82.951121 where: bonds (distance) C4'-P energy: -15.648 bonds (distance) P-C4' energy: -14.655 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -13.367 tors. eta vs tors. theta energy: -21.133 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: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -284.457394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.457394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.457394 (E_RNA) where: Base-Base interactions energy: -199.704 where: short stacking energy: -82.265 Base-Backbone interact. energy: -0.098 local terms energy: -84.655785 where: bonds (distance) C4'-P energy: -16.245 bonds (distance) P-C4' energy: -18.254 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -13.222 tors. eta vs tors. theta energy: -20.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -277.806068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.806068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.806068 (E_RNA) where: Base-Base interactions energy: -203.250 where: short stacking energy: -87.700 Base-Backbone interact. energy: -0.438 local terms energy: -74.118350 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -15.602 flat angles C4'-P-C4' energy: -16.246 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -19.797 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: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -261.557927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.557927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.557927 (E_RNA) where: Base-Base interactions energy: -197.115 where: short stacking energy: -73.724 Base-Backbone interact. energy: -0.276 local terms energy: -64.166505 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -13.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -224.755488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.755488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.755488 (E_RNA) where: Base-Base interactions energy: -158.327 where: short stacking energy: -75.585 Base-Backbone interact. energy: -0.287 local terms energy: -66.140661 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -12.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -208.496669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.496669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.496669 (E_RNA) where: Base-Base interactions energy: -141.523 where: short stacking energy: -70.141 Base-Backbone interact. energy: -0.020 local terms energy: -66.953522 where: bonds (distance) C4'-P energy: -15.036 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -11.289 tors. eta vs tors. theta energy: -18.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -204.262273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.262273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.262273 (E_RNA) where: Base-Base interactions energy: -140.120 where: short stacking energy: -58.194 Base-Backbone interact. energy: -0.145 local terms energy: -63.996561 where: bonds (distance) C4'-P energy: -18.315 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -13.018 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: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -121.946427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.946427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.946427 (E_RNA) where: Base-Base interactions energy: -75.043 where: short stacking energy: -37.864 Base-Backbone interact. energy: 1.037 local terms energy: -47.940361 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -10.297 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -7.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -97.944661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.944661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.944661 (E_RNA) where: Base-Base interactions energy: -42.822 where: short stacking energy: -40.897 Base-Backbone interact. energy: -0.740 local terms energy: -54.383068 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -13.541 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -11.630 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -286.608029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.608029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.608029 (E_RNA) where: Base-Base interactions energy: -200.966 where: short stacking energy: -84.853 Base-Backbone interact. energy: -1.495 local terms energy: -84.147066 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -17.791 flat angles P-C4'-P energy: -12.181 tors. eta vs tors. theta energy: -22.626 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: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -282.765257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.765257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.765257 (E_RNA) where: Base-Base interactions energy: -203.110 where: short stacking energy: -94.210 Base-Backbone interact. energy: -0.109 local terms energy: -79.545896 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -15.831 flat angles C4'-P-C4' energy: -18.438 flat angles P-C4'-P energy: -11.186 tors. eta vs tors. theta energy: -19.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -274.857198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.857198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.857198 (E_RNA) where: Base-Base interactions energy: -191.869 where: short stacking energy: -81.569 Base-Backbone interact. energy: -1.293 local terms energy: -81.694672 where: bonds (distance) C4'-P energy: -16.924 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -17.732 flat angles P-C4'-P energy: -14.703 tors. eta vs tors. theta energy: -19.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -264.503244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.503244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.503244 (E_RNA) where: Base-Base interactions energy: -194.099 where: short stacking energy: -73.657 Base-Backbone interact. energy: -0.198 local terms energy: -70.206252 where: bonds (distance) C4'-P energy: -15.934 bonds (distance) P-C4' energy: -17.563 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -16.493 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: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -276.231697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.231697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.231697 (E_RNA) where: Base-Base interactions energy: -198.481 where: short stacking energy: -83.283 Base-Backbone interact. energy: -0.083 local terms energy: -77.667132 where: bonds (distance) C4'-P energy: -16.084 bonds (distance) P-C4' energy: -15.419 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -20.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -227.463249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.463249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.463249 (E_RNA) where: Base-Base interactions energy: -143.980 where: short stacking energy: -67.322 Base-Backbone interact. energy: -0.342 local terms energy: -83.141626 where: bonds (distance) C4'-P energy: -19.445 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -11.408 tors. eta vs tors. theta energy: -17.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -227.951244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.951244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.951244 (E_RNA) where: Base-Base interactions energy: -161.708 where: short stacking energy: -68.655 Base-Backbone interact. energy: -0.248 local terms energy: -65.994798 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -11.438 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -15.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -206.260174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.260174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.260174 (E_RNA) where: Base-Base interactions energy: -138.878 where: short stacking energy: -71.632 Base-Backbone interact. energy: -0.582 local terms energy: -66.799668 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -17.960 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -13.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -132.565098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.565098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.565098 (E_RNA) where: Base-Base interactions energy: -72.827 where: short stacking energy: -40.436 Base-Backbone interact. energy: -0.293 local terms energy: -59.444509 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -16.756 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -6.408 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: 10, replica: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -89.038556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.038556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.038556 (E_RNA) where: Base-Base interactions energy: -39.903 where: short stacking energy: -26.502 Base-Backbone interact. energy: -0.552 local terms energy: -48.582896 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -6.080 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: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -286.188227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.188227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.188227 (E_RNA) where: Base-Base interactions energy: -201.601 where: short stacking energy: -85.429 Base-Backbone interact. energy: 0.488 local terms energy: -85.075576 where: bonds (distance) C4'-P energy: -17.119 bonds (distance) P-C4' energy: -17.657 flat angles C4'-P-C4' energy: -17.163 flat angles P-C4'-P energy: -12.944 tors. eta vs tors. theta energy: -20.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -281.782455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.782455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.782455 (E_RNA) where: Base-Base interactions energy: -201.826 where: short stacking energy: -83.641 Base-Backbone interact. energy: -0.596 local terms energy: -79.361155 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -15.989 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -11.024 tors. eta vs tors. theta energy: -21.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -272.057898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.057898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.057898 (E_RNA) where: Base-Base interactions energy: -196.948 where: short stacking energy: -79.797 Base-Backbone interact. energy: -1.303 local terms energy: -73.807186 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -18.015 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -11.371 tors. eta vs tors. theta energy: -15.883 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: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -271.761467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.761467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.761467 (E_RNA) where: Base-Base interactions energy: -192.851 where: short stacking energy: -80.062 Base-Backbone interact. energy: -0.301 local terms energy: -78.608864 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -15.869 flat angles C4'-P-C4' energy: -17.445 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -20.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -270.681502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.681502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.681502 (E_RNA) where: Base-Base interactions energy: -187.900 where: short stacking energy: -75.732 Base-Backbone interact. energy: -0.394 local terms energy: -82.387642 where: bonds (distance) C4'-P energy: -17.714 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -12.624 tors. eta vs tors. theta energy: -19.306 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: 9 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -220.642914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.642914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.642914 (E_RNA) where: Base-Base interactions energy: -149.196 where: short stacking energy: -75.012 Base-Backbone interact. energy: -0.653 local terms energy: -70.793543 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -19.854 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: 130 Temperature: 1.200000 Total energy: -216.413115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.413115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.413115 (E_RNA) where: Base-Base interactions energy: -142.563 where: short stacking energy: -69.020 Base-Backbone interact. energy: -0.903 local terms energy: -72.947871 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -14.829 tors. eta vs tors. theta energy: -12.788 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: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -209.643945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.643945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.643945 (E_RNA) where: Base-Base interactions energy: -147.509 where: short stacking energy: -70.159 Base-Backbone interact. energy: 1.265 local terms energy: -63.399571 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -15.522 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -20.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -134.638137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.638137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.638137 (E_RNA) where: Base-Base interactions energy: -87.058 where: short stacking energy: -34.408 Base-Backbone interact. energy: -0.137 local terms energy: -47.443677 where: bonds (distance) C4'-P energy: -9.719 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -5.053 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: 10, replica: 3 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -94.046665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.046665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.046665 (E_RNA) where: Base-Base interactions energy: -35.654 where: short stacking energy: -30.728 Base-Backbone interact. energy: -0.642 local terms energy: -57.750679 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -291.240666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.240666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.240666 (E_RNA) where: Base-Base interactions energy: -210.807 where: short stacking energy: -93.743 Base-Backbone interact. energy: -0.385 local terms energy: -80.048396 where: bonds (distance) C4'-P energy: -15.616 bonds (distance) P-C4' energy: -15.912 flat angles C4'-P-C4' energy: -17.278 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -20.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -266.833066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.833066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.833066 (E_RNA) where: Base-Base interactions energy: -190.688 where: short stacking energy: -73.681 Base-Backbone interact. energy: -0.537 local terms energy: -75.608108 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -17.260 flat angles C4'-P-C4' energy: -16.785 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -14.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -274.991665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.991665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.991665 (E_RNA) where: Base-Base interactions energy: -195.735 where: short stacking energy: -82.650 Base-Backbone interact. energy: -0.195 local terms energy: -79.062030 where: bonds (distance) C4'-P energy: -17.586 bonds (distance) P-C4' energy: -18.691 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -11.412 tors. eta vs tors. theta energy: -16.152 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: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -271.566659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.566659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.566659 (E_RNA) where: Base-Base interactions energy: -194.330 where: short stacking energy: -81.637 Base-Backbone interact. energy: -0.985 local terms energy: -76.251646 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -268.852221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.852221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.852221 (E_RNA) where: Base-Base interactions energy: -196.296 where: short stacking energy: -83.910 Base-Backbone interact. energy: 0.316 local terms energy: -72.872996 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -19.026 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -17.664 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: 8 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -213.994995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.994995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.994995 (E_RNA) where: Base-Base interactions energy: -141.889 where: short stacking energy: -69.894 Base-Backbone interact. energy: -0.090 local terms energy: -72.015117 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -211.179220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.179220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.179220 (E_RNA) where: Base-Base interactions energy: -142.813 where: short stacking energy: -65.441 Base-Backbone interact. energy: -0.592 local terms energy: -67.774300 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -17.688 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -11.679 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: 131 Temperature: 1.250000 Total energy: -212.151833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.151833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.151833 (E_RNA) where: Base-Base interactions energy: -141.929 where: short stacking energy: -79.092 Base-Backbone interact. energy: -0.012 local terms energy: -70.211466 where: bonds (distance) C4'-P energy: -8.939 bonds (distance) P-C4' energy: -16.092 flat angles C4'-P-C4' energy: -17.414 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -19.472 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: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -121.087091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.087091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.087091 (E_RNA) where: Base-Base interactions energy: -72.032 where: short stacking energy: -45.354 Base-Backbone interact. energy: -0.373 local terms energy: -48.681974 where: bonds (distance) C4'-P energy: -8.312 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -134.184275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.184275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.184275 (E_RNA) where: Base-Base interactions energy: -81.952 where: short stacking energy: -40.645 Base-Backbone interact. energy: -0.736 local terms energy: -51.496276 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -17.175 flat angles P-C4'-P energy: -7.212 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: 1, replica: 5 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -276.006700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.006700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.006700 (E_RNA) where: Base-Base interactions energy: -201.817 where: short stacking energy: -74.400 Base-Backbone interact. energy: -0.279 local terms energy: -73.910796 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -18.225 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: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -284.019291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.019291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.019291 (E_RNA) where: Base-Base interactions energy: -199.564 where: short stacking energy: -87.673 Base-Backbone interact. energy: -0.072 local terms energy: -84.382499 where: bonds (distance) C4'-P energy: -19.172 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -16.222 flat angles P-C4'-P energy: -12.847 tors. eta vs tors. theta energy: -21.687 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: 132 Temperature: 1.000000 Total energy: -278.675804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.675804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.675804 (E_RNA) where: Base-Base interactions energy: -201.757 where: short stacking energy: -84.620 Base-Backbone interact. energy: -0.114 local terms energy: -76.804206 where: bonds (distance) C4'-P energy: -15.380 bonds (distance) P-C4' energy: -17.150 flat angles C4'-P-C4' energy: -17.546 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -19.723 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: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -277.260483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.260483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.260483 (E_RNA) where: Base-Base interactions energy: -196.247 where: short stacking energy: -84.072 Base-Backbone interact. energy: -0.768 local terms energy: -80.246035 where: bonds (distance) C4'-P energy: -16.775 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -19.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -264.774978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.774978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.774978 (E_RNA) where: Base-Base interactions energy: -186.688 where: short stacking energy: -79.689 Base-Backbone interact. energy: -0.489 local terms energy: -77.597876 where: bonds (distance) C4'-P energy: -18.120 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -19.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -218.637227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.637227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.637227 (E_RNA) where: Base-Base interactions energy: -153.577 where: short stacking energy: -77.236 Base-Backbone interact. energy: -0.057 local terms energy: -65.003245 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -10.623 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -16.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -235.330902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.330902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.330902 (E_RNA) where: Base-Base interactions energy: -161.158 where: short stacking energy: -79.058 Base-Backbone interact. energy: -0.677 local terms energy: -73.495989 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -18.532 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: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -192.808992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.808992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.808992 (E_RNA) where: Base-Base interactions energy: -125.404 where: short stacking energy: -71.262 Base-Backbone interact. energy: -0.100 local terms energy: -67.305922 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -16.020 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: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -132.204528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.204528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.204528 (E_RNA) where: Base-Base interactions energy: -85.709 where: short stacking energy: -42.898 Base-Backbone interact. energy: -0.330 local terms energy: -46.166421 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -92.646170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.646170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.646170 (E_RNA) where: Base-Base interactions energy: -40.297 where: short stacking energy: -40.297 Base-Backbone interact. energy: -0.184 local terms energy: -52.164518 where: bonds (distance) C4'-P energy: -9.164 bonds (distance) P-C4' energy: -14.872 flat angles C4'-P-C4' energy: -15.991 flat angles P-C4'-P energy: -8.453 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: 1, replica: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -275.085000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.085000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.085000 (E_RNA) where: Base-Base interactions energy: -197.096 where: short stacking energy: -75.227 Base-Backbone interact. energy: -1.346 local terms energy: -76.642916 where: bonds (distance) C4'-P energy: -16.369 bonds (distance) P-C4' energy: -17.241 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -12.960 tors. eta vs tors. theta energy: -15.987 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: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -279.314255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.314255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.314255 (E_RNA) where: Base-Base interactions energy: -200.799 where: short stacking energy: -87.438 Base-Backbone interact. energy: -0.403 local terms energy: -78.112453 where: bonds (distance) C4'-P energy: -15.002 bonds (distance) P-C4' energy: -15.814 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -11.746 tors. eta vs tors. theta energy: -18.909 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: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -287.616318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.616318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.616318 (E_RNA) where: Base-Base interactions energy: -200.479 where: short stacking energy: -84.259 Base-Backbone interact. energy: -0.304 local terms energy: -86.833047 where: bonds (distance) C4'-P energy: -16.844 bonds (distance) P-C4' energy: -16.266 flat angles C4'-P-C4' energy: -18.055 flat angles P-C4'-P energy: -13.464 tors. eta vs tors. theta energy: -22.205 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: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -279.463931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.463931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.463931 (E_RNA) where: Base-Base interactions energy: -197.161 where: short stacking energy: -80.677 Base-Backbone interact. energy: -1.158 local terms energy: -81.145600 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -17.072 flat angles C4'-P-C4' energy: -18.772 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -20.499 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: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -267.334298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.334298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.334298 (E_RNA) where: Base-Base interactions energy: -196.443 where: short stacking energy: -83.543 Base-Backbone interact. energy: -0.495 local terms energy: -70.396800 where: bonds (distance) C4'-P energy: -16.775 bonds (distance) P-C4' energy: -11.401 flat angles C4'-P-C4' energy: -15.530 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -229.231379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.231379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.231379 (E_RNA) where: Base-Base interactions energy: -158.610 where: short stacking energy: -64.411 Base-Backbone interact. energy: -0.424 local terms energy: -70.196958 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -207.046910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.046910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.046910 (E_RNA) where: Base-Base interactions energy: -138.062 where: short stacking energy: -65.682 Base-Backbone interact. energy: -0.118 local terms energy: -68.866607 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -12.623 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: 9 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -199.023283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.023283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.023283 (E_RNA) where: Base-Base interactions energy: -125.176 where: short stacking energy: -66.235 Base-Backbone interact. energy: -0.016 local terms energy: -73.830859 where: bonds (distance) C4'-P energy: -16.332 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -18.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -140.950312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.950312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.950312 (E_RNA) where: Base-Base interactions energy: -88.298 where: short stacking energy: -54.150 Base-Backbone interact. energy: -0.147 local terms energy: -52.505279 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -11.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -107.768811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.768811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.768811 (E_RNA) where: Base-Base interactions energy: -52.091 where: short stacking energy: -39.908 Base-Backbone interact. energy: 4.259 local terms energy: -59.936931 where: bonds (distance) C4'-P energy: -16.807 bonds (distance) P-C4' energy: -15.707 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -13.793 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -283.850462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.850462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.850462 (E_RNA) where: Base-Base interactions energy: -205.234 where: short stacking energy: -91.529 Base-Backbone interact. energy: -0.095 local terms energy: -78.520751 where: bonds (distance) C4'-P energy: -17.380 bonds (distance) P-C4' energy: -11.604 flat angles C4'-P-C4' energy: -19.004 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -20.549 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: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -272.284768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.284768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.284768 (E_RNA) where: Base-Base interactions energy: -193.702 where: short stacking energy: -76.688 Base-Backbone interact. energy: -1.251 local terms energy: -77.332259 where: bonds (distance) C4'-P energy: -16.915 bonds (distance) P-C4' energy: -17.662 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -17.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -285.139112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.139112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.139112 (E_RNA) where: Base-Base interactions energy: -200.309 where: short stacking energy: -80.827 Base-Backbone interact. energy: -0.001 local terms energy: -84.829203 where: bonds (distance) C4'-P energy: -18.062 bonds (distance) P-C4' energy: -17.741 flat angles C4'-P-C4' energy: -18.845 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -17.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -277.962313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.962313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.962313 (E_RNA) where: Base-Base interactions energy: -199.484 where: short stacking energy: -86.831 Base-Backbone interact. energy: -0.639 local terms energy: -77.839798 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -16.775 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -19.951 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -269.641228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.641228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.641228 (E_RNA) where: Base-Base interactions energy: -195.158 where: short stacking energy: -80.824 Base-Backbone interact. energy: -0.736 local terms energy: -73.747735 where: bonds (distance) C4'-P energy: -8.594 bonds (distance) P-C4' energy: -16.959 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -14.713 tors. eta vs tors. theta energy: -17.864 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: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -242.697243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.697243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.697243 (E_RNA) where: Base-Base interactions energy: -169.807 where: short stacking energy: -84.394 Base-Backbone interact. energy: -0.178 local terms energy: -72.712343 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -20.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -214.505570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.505570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.505570 (E_RNA) where: Base-Base interactions energy: -148.125 where: short stacking energy: -65.811 Base-Backbone interact. energy: -1.401 local terms energy: -64.979686 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -16.921 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -201.308454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.308454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.308454 (E_RNA) where: Base-Base interactions energy: -132.960 where: short stacking energy: -69.478 Base-Backbone interact. energy: -0.037 local terms energy: -68.310614 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -18.535 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -137.726501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.726501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.726501 (E_RNA) where: Base-Base interactions energy: -81.635 where: short stacking energy: -37.433 Base-Backbone interact. energy: 0.021 local terms energy: -56.113388 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -17.385 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -91.775332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.775332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.775332 (E_RNA) where: Base-Base interactions energy: -51.405 where: short stacking energy: -37.130 Base-Backbone interact. energy: -0.726 local terms energy: -39.644425 where: bonds (distance) C4'-P energy: -17.635 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -7.840 flat angles P-C4'-P energy: 0.453 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: 1, replica: 4 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -287.085035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.085035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.085035 (E_RNA) where: Base-Base interactions energy: -202.390 where: short stacking energy: -88.159 Base-Backbone interact. energy: -0.109 local terms energy: -84.586098 where: bonds (distance) C4'-P energy: -18.885 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -18.998 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -20.635 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: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -273.971168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.971168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.971168 (E_RNA) where: Base-Base interactions energy: -199.092 where: short stacking energy: -85.560 Base-Backbone interact. energy: -0.230 local terms energy: -74.649151 where: bonds (distance) C4'-P energy: -14.717 bonds (distance) P-C4' energy: -16.747 flat angles C4'-P-C4' energy: -17.902 flat angles P-C4'-P energy: -12.736 tors. eta vs tors. theta energy: -12.546 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: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -283.084023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.084023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.084023 (E_RNA) where: Base-Base interactions energy: -202.023 where: short stacking energy: -85.235 Base-Backbone interact. energy: -0.799 local terms energy: -80.262009 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -17.389 flat angles C4'-P-C4' energy: -18.037 flat angles P-C4'-P energy: -12.620 tors. eta vs tors. theta energy: -19.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -268.970363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.970363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.970363 (E_RNA) where: Base-Base interactions energy: -192.441 where: short stacking energy: -71.856 Base-Backbone interact. energy: -0.260 local terms energy: -76.269010 where: bonds (distance) C4'-P energy: -17.200 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -17.596 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -13.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -264.242859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.242859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.242859 (E_RNA) where: Base-Base interactions energy: -185.419 where: short stacking energy: -78.575 Base-Backbone interact. energy: -0.307 local terms energy: -78.516566 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -18.023 flat angles C4'-P-C4' energy: -19.166 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -17.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -232.482821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.482821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.482821 (E_RNA) where: Base-Base interactions energy: -157.756 where: short stacking energy: -79.355 Base-Backbone interact. energy: -0.001 local terms energy: -74.725817 where: bonds (distance) C4'-P energy: -10.054 bonds (distance) P-C4' energy: -17.413 flat angles C4'-P-C4' energy: -18.509 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -17.516 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: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -199.492984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.492984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.492984 (E_RNA) where: Base-Base interactions energy: -126.126 where: short stacking energy: -59.334 Base-Backbone interact. energy: 0.010 local terms energy: -73.377066 where: bonds (distance) C4'-P energy: -17.516 bonds (distance) P-C4' energy: -16.734 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -14.141 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: 135 Temperature: 1.250000 Total energy: -185.783637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.783637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.783637 (E_RNA) where: Base-Base interactions energy: -120.524 where: short stacking energy: -73.981 Base-Backbone interact. energy: -0.056 local terms energy: -65.203527 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -9.861 flat angles P-C4'-P energy: -11.947 tors. eta vs tors. theta energy: -15.385 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: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -144.913139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.913139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.913139 (E_RNA) where: Base-Base interactions energy: -85.003 where: short stacking energy: -54.254 Base-Backbone interact. energy: -0.254 local terms energy: -59.655952 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -8.083 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -110.893107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.893107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.893107 (E_RNA) where: Base-Base interactions energy: -57.268 where: short stacking energy: -53.894 Base-Backbone interact. energy: -0.162 local terms energy: -53.463365 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -12.139 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -9.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -272.697867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.697867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.697867 (E_RNA) where: Base-Base interactions energy: -196.983 where: short stacking energy: -80.575 Base-Backbone interact. energy: -0.543 local terms energy: -75.171340 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -18.809 flat angles C4'-P-C4' energy: -16.731 flat angles P-C4'-P energy: -12.796 tors. eta vs tors. theta energy: -12.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -290.674097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.674097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.674097 (E_RNA) where: Base-Base interactions energy: -205.297 where: short stacking energy: -87.536 Base-Backbone interact. energy: -0.098 local terms energy: -85.278703 where: bonds (distance) C4'-P energy: -18.000 bonds (distance) P-C4' energy: -14.002 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -14.792 tors. eta vs tors. theta energy: -22.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -277.510225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.510225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.510225 (E_RNA) where: Base-Base interactions energy: -200.570 where: short stacking energy: -85.279 Base-Backbone interact. energy: -0.327 local terms energy: -76.612766 where: bonds (distance) C4'-P energy: -18.326 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -16.569 flat angles P-C4'-P energy: -9.255 tors. eta vs tors. theta energy: -19.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -269.358088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.358088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.358088 (E_RNA) where: Base-Base interactions energy: -189.827 where: short stacking energy: -77.051 Base-Backbone interact. energy: -0.535 local terms energy: -78.996363 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -18.455 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -21.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -249.845862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.845862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.845862 (E_RNA) where: Base-Base interactions energy: -175.276 where: short stacking energy: -78.288 Base-Backbone interact. energy: -0.421 local terms energy: -74.148173 where: bonds (distance) C4'-P energy: -17.095 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -19.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -261.238865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.238865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.238865 (E_RNA) where: Base-Base interactions energy: -181.856 where: short stacking energy: -75.411 Base-Backbone interact. energy: -0.688 local terms energy: -78.694046 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -18.786 flat angles C4'-P-C4' energy: -18.291 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -16.467 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: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -195.594081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.594081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.594081 (E_RNA) where: Base-Base interactions energy: -136.938 where: short stacking energy: -60.354 Base-Backbone interact. energy: -0.727 local terms energy: -57.928234 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -8.431 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -5.971 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -201.487332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.487332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.487332 (E_RNA) where: Base-Base interactions energy: -128.566 where: short stacking energy: -56.505 Base-Backbone interact. energy: -0.005 local terms energy: -72.916059 where: bonds (distance) C4'-P energy: -16.841 bonds (distance) P-C4' energy: -15.232 flat angles C4'-P-C4' energy: -19.396 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -13.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -123.034982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.034982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.034982 (E_RNA) where: Base-Base interactions energy: -66.237 where: short stacking energy: -43.479 Base-Backbone interact. energy: -0.453 local terms energy: -56.344940 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -16.146 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -7.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -120.059538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.059538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.059538 (E_RNA) where: Base-Base interactions energy: -78.710 where: short stacking energy: -37.363 Base-Backbone interact. energy: 0.361 local terms energy: -41.710204 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -0.559 tors. eta vs tors. theta energy: -1.771 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: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -275.172686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.172686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.172686 (E_RNA) where: Base-Base interactions energy: -197.129 where: short stacking energy: -79.646 Base-Backbone interact. energy: -0.186 local terms energy: -77.858245 where: bonds (distance) C4'-P energy: -18.986 bonds (distance) P-C4' energy: -15.327 flat angles C4'-P-C4' energy: -17.932 flat angles P-C4'-P energy: -13.068 tors. eta vs tors. theta energy: -12.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -291.208050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.208050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.208050 (E_RNA) where: Base-Base interactions energy: -209.625 where: short stacking energy: -87.499 Base-Backbone interact. energy: -0.087 local terms energy: -81.495915 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -18.450 flat angles P-C4'-P energy: -14.368 tors. eta vs tors. theta energy: -17.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -269.913611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.913611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.913611 (E_RNA) where: Base-Base interactions energy: -193.421 where: short stacking energy: -82.405 Base-Backbone interact. energy: -0.103 local terms energy: -76.390133 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -17.843 flat angles C4'-P-C4' energy: -17.517 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -259.043447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.043447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.043447 (E_RNA) where: Base-Base interactions energy: -173.342 where: short stacking energy: -90.422 Base-Backbone interact. energy: -0.097 local terms energy: -85.604454 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -17.415 flat angles C4'-P-C4' energy: -19.310 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -20.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -272.840613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.840613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.840613 (E_RNA) where: Base-Base interactions energy: -194.867 where: short stacking energy: -76.809 Base-Backbone interact. energy: 2.573 local terms energy: -80.546428 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -12.040 tors. eta vs tors. theta energy: -20.569 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: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -198.530844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.530844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.530844 (E_RNA) where: Base-Base interactions energy: -137.834 where: short stacking energy: -58.203 Base-Backbone interact. energy: -0.078 local terms energy: -60.617993 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -12.048 flat angles C4'-P-C4' energy: -15.832 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -254.778036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.778036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.778036 (E_RNA) where: Base-Base interactions energy: -182.529 where: short stacking energy: -71.797 Base-Backbone interact. energy: -0.090 local terms energy: -72.158724 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -18.469 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -16.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -217.888666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.888666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.888666 (E_RNA) where: Base-Base interactions energy: -150.045 where: short stacking energy: -66.136 Base-Backbone interact. energy: 1.488 local terms energy: -69.331631 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -14.562 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -14.131 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: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -102.857599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.857599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.857599 (E_RNA) where: Base-Base interactions energy: -42.521 where: short stacking energy: -40.649 Base-Backbone interact. energy: -0.200 local terms energy: -60.136518 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -16.934 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -12.257 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: 10, replica: 3 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -79.863154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.863154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.863154 (E_RNA) where: Base-Base interactions energy: -25.578 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.165 local terms energy: -54.120509 where: bonds (distance) C4'-P energy: -15.531 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -2.692 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: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -291.431448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.431448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.431448 (E_RNA) where: Base-Base interactions energy: -200.564 where: short stacking energy: -88.982 Base-Backbone interact. energy: -0.895 local terms energy: -89.971962 where: bonds (distance) C4'-P energy: -17.366 bonds (distance) P-C4' energy: -19.263 flat angles C4'-P-C4' energy: -19.737 flat angles P-C4'-P energy: -13.138 tors. eta vs tors. theta energy: -20.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -274.738181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.738181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.738181 (E_RNA) where: Base-Base interactions energy: -198.268 where: short stacking energy: -78.354 Base-Backbone interact. energy: -0.429 local terms energy: -76.041542 where: bonds (distance) C4'-P energy: -16.286 bonds (distance) P-C4' energy: -17.149 flat angles C4'-P-C4' energy: -17.957 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -13.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -278.037171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.037171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.037171 (E_RNA) where: Base-Base interactions energy: -198.942 where: short stacking energy: -82.122 Base-Backbone interact. energy: -0.126 local terms energy: -78.969908 where: bonds (distance) C4'-P energy: -16.800 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -13.942 tors. eta vs tors. theta energy: -19.260 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: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -250.169438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.169438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.169438 (E_RNA) where: Base-Base interactions energy: -180.661 where: short stacking energy: -78.782 Base-Backbone interact. energy: -0.022 local terms energy: -69.485740 where: bonds (distance) C4'-P energy: -15.505 bonds (distance) P-C4' energy: -12.075 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -18.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -213.470424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.470424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.470424 (E_RNA) where: Base-Base interactions energy: -152.982 where: short stacking energy: -66.383 Base-Backbone interact. energy: 0.325 local terms energy: -60.813801 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -17.733 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -8.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -267.422880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.422880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.422880 (E_RNA) where: Base-Base interactions energy: -186.444 where: short stacking energy: -80.437 Base-Backbone interact. energy: -0.200 local terms energy: -80.778640 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -18.504 flat angles C4'-P-C4' energy: -17.923 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -17.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -253.073241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.073241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.073241 (E_RNA) where: Base-Base interactions energy: -179.732 where: short stacking energy: -73.086 Base-Backbone interact. energy: -0.107 local terms energy: -73.234184 where: bonds (distance) C4'-P energy: -15.772 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -16.955 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -16.598 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: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -231.888494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.888494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.888494 (E_RNA) where: Base-Base interactions energy: -163.033 where: short stacking energy: -63.374 Base-Backbone interact. energy: -1.043 local terms energy: -67.812686 where: bonds (distance) C4'-P energy: -16.995 bonds (distance) P-C4' energy: -15.627 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -11.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -111.807168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.807168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.807168 (E_RNA) where: Base-Base interactions energy: -63.097 where: short stacking energy: -31.934 Base-Backbone interact. energy: -0.092 local terms energy: -48.618415 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -9.278 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: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -105.147648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.147648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.147648 (E_RNA) where: Base-Base interactions energy: -54.290 where: short stacking energy: -46.253 Base-Backbone interact. energy: 0.052 local terms energy: -50.910217 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -285.704112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.704112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.704112 (E_RNA) where: Base-Base interactions energy: -205.058 where: short stacking energy: -82.475 Base-Backbone interact. energy: -1.445 local terms energy: -79.201322 where: bonds (distance) C4'-P energy: -18.261 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -16.979 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -20.607 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: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -279.573483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.573483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.573483 (E_RNA) where: Base-Base interactions energy: -201.881 where: short stacking energy: -91.309 Base-Backbone interact. energy: -0.157 local terms energy: -77.535505 where: bonds (distance) C4'-P energy: -16.001 bonds (distance) P-C4' energy: -17.315 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -19.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -266.472687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.472687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.472687 (E_RNA) where: Base-Base interactions energy: -191.187 where: short stacking energy: -77.145 Base-Backbone interact. energy: -0.197 local terms energy: -75.088502 where: bonds (distance) C4'-P energy: -15.577 bonds (distance) P-C4' energy: -19.125 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -12.177 tors. eta vs tors. theta energy: -13.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -253.008247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.008247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.008247 (E_RNA) where: Base-Base interactions energy: -171.485 where: short stacking energy: -81.097 Base-Backbone interact. energy: 0.272 local terms energy: -81.794986 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -16.252 flat angles C4'-P-C4' energy: -17.239 flat angles P-C4'-P energy: -14.602 tors. eta vs tors. theta energy: -17.912 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: 5, replica: 9 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -231.347683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.347683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.347683 (E_RNA) where: Base-Base interactions energy: -157.119 where: short stacking energy: -77.385 Base-Backbone interact. energy: -0.056 local terms energy: -74.172026 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -16.529 tors. eta vs tors. theta energy: -15.715 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: 139 Temperature: 1.150000 Total energy: -270.206258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.206258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.206258 (E_RNA) where: Base-Base interactions energy: -190.480 where: short stacking energy: -78.186 Base-Backbone interact. energy: -0.101 local terms energy: -79.625230 where: bonds (distance) C4'-P energy: -19.234 bonds (distance) P-C4' energy: -17.742 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -11.205 tors. eta vs tors. theta energy: -16.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -258.361371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.361371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.361371 (E_RNA) where: Base-Base interactions energy: -179.884 where: short stacking energy: -68.202 Base-Backbone interact. energy: -0.475 local terms energy: -78.002440 where: bonds (distance) C4'-P energy: -18.330 bonds (distance) P-C4' energy: -19.716 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -6.550 tors. eta vs tors. theta energy: -17.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -210.089303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.089303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.089303 (E_RNA) where: Base-Base interactions energy: -137.353 where: short stacking energy: -68.400 Base-Backbone interact. energy: 0.118 local terms energy: -72.854635 where: bonds (distance) C4'-P energy: -15.338 bonds (distance) P-C4' energy: -17.399 flat angles C4'-P-C4' energy: -15.931 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -15.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -99.198731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.198731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.198731 (E_RNA) where: Base-Base interactions energy: -50.486 where: short stacking energy: -35.916 Base-Backbone interact. energy: 0.290 local terms energy: -49.002797 where: bonds (distance) C4'-P energy: -10.296 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -11.003 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -103.298893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.298893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.298893 (E_RNA) where: Base-Base interactions energy: -44.662 where: short stacking energy: -44.528 Base-Backbone interact. energy: -0.142 local terms energy: -58.495335 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -284.832903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.832903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.832903 (E_RNA) where: Base-Base interactions energy: -207.340 where: short stacking energy: -87.005 Base-Backbone interact. energy: -0.063 local terms energy: -77.429563 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -19.588 flat angles P-C4'-P energy: -9.531 tors. eta vs tors. theta energy: -20.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -279.852616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.852616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.852616 (E_RNA) where: Base-Base interactions energy: -198.355 where: short stacking energy: -78.215 Base-Backbone interact. energy: -0.594 local terms energy: -80.903176 where: bonds (distance) C4'-P energy: -16.544 bonds (distance) P-C4' energy: -18.407 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -19.978 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: 140 Temperature: 1.000000 Total energy: -253.869229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.869229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.869229 (E_RNA) where: Base-Base interactions energy: -176.942 where: short stacking energy: -93.223 Base-Backbone interact. energy: -0.000 local terms energy: -76.926809 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -18.107 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -12.994 tors. eta vs tors. theta energy: -18.743 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: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -263.422442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.422442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.422442 (E_RNA) where: Base-Base interactions energy: -192.265 where: short stacking energy: -71.382 Base-Backbone interact. energy: -1.854 local terms energy: -69.302902 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -19.563 flat angles C4'-P-C4' energy: -14.222 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -10.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -269.337464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.337464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.337464 (E_RNA) where: Base-Base interactions energy: -193.547 where: short stacking energy: -78.579 Base-Backbone interact. energy: 1.150 local terms energy: -76.940133 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -18.694 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -20.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -233.055461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.055461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.055461 (E_RNA) where: Base-Base interactions energy: -160.871 where: short stacking energy: -81.983 Base-Backbone interact. energy: -0.714 local terms energy: -71.470642 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -15.949 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -20.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -261.282844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.282844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.282844 (E_RNA) where: Base-Base interactions energy: -192.810 where: short stacking energy: -83.526 Base-Backbone interact. energy: -0.016 local terms energy: -68.457641 where: bonds (distance) C4'-P energy: -8.948 bonds (distance) P-C4' energy: -14.652 flat angles C4'-P-C4' energy: -18.308 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -15.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -211.951141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.951141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.951141 (E_RNA) where: Base-Base interactions energy: -142.600 where: short stacking energy: -67.513 Base-Backbone interact. energy: 2.281 local terms energy: -71.632284 where: bonds (distance) C4'-P energy: -18.853 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -17.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -93.873811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.873811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.873811 (E_RNA) where: Base-Base interactions energy: -46.815 where: short stacking energy: -41.304 Base-Backbone interact. energy: 2.746 local terms energy: -49.804893 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -5.101 tors. eta vs tors. theta energy: -3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -112.278294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.278294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.278294 (E_RNA) where: Base-Base interactions energy: -50.741 where: short stacking energy: -50.741 Base-Backbone interact. energy: 0.051 local terms energy: -61.587659 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -289.029400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.029400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.029400 (E_RNA) where: Base-Base interactions energy: -206.387 where: short stacking energy: -81.131 Base-Backbone interact. energy: -0.115 local terms energy: -82.527515 where: bonds (distance) C4'-P energy: -18.906 bonds (distance) P-C4' energy: -18.921 flat angles C4'-P-C4' energy: -15.356 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -282.632946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.632946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.632946 (E_RNA) where: Base-Base interactions energy: -200.873 where: short stacking energy: -84.875 Base-Backbone interact. energy: -0.714 local terms energy: -81.046049 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -15.406 flat angles C4'-P-C4' energy: -19.106 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -22.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -249.103366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.103366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.103366 (E_RNA) where: Base-Base interactions energy: -177.651 where: short stacking energy: -86.507 Base-Backbone interact. energy: 0.322 local terms energy: -71.774555 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -16.597 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -20.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -268.536226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.536226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.536226 (E_RNA) where: Base-Base interactions energy: -184.017 where: short stacking energy: -73.249 Base-Backbone interact. energy: -1.579 local terms energy: -82.939829 where: bonds (distance) C4'-P energy: -18.593 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -18.832 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -21.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -262.320536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.320536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.320536 (E_RNA) where: Base-Base interactions energy: -190.467 where: short stacking energy: -64.783 Base-Backbone interact. energy: -1.327 local terms energy: -70.526424 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -17.967 flat angles C4'-P-C4' energy: -17.831 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -13.894 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: 141 Temperature: 1.150000 Total energy: -274.210085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.210085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.210085 (E_RNA) where: Base-Base interactions energy: -195.595 where: short stacking energy: -85.834 Base-Backbone interact. energy: 1.491 local terms energy: -80.105679 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -15.204 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -11.245 tors. eta vs tors. theta energy: -22.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -230.306325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.306325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.306325 (E_RNA) where: Base-Base interactions energy: -156.046 where: short stacking energy: -83.305 Base-Backbone interact. energy: -1.466 local terms energy: -72.795065 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -12.249 flat angles C4'-P-C4' energy: -17.270 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -20.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -205.673790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.673790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.673790 (E_RNA) where: Base-Base interactions energy: -138.389 where: short stacking energy: -59.544 Base-Backbone interact. energy: -0.410 local terms energy: -66.874392 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -11.017 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -11.663 tors. eta vs tors. theta energy: -13.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -100.728429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.728429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.728429 (E_RNA) where: Base-Base interactions energy: -46.279 where: short stacking energy: -38.512 Base-Backbone interact. energy: 2.170 local terms energy: -56.619167 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -12.857 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: 10, replica: 3 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -96.035694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.035694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.035694 (E_RNA) where: Base-Base interactions energy: -33.999 where: short stacking energy: -33.450 Base-Backbone interact. energy: -0.161 local terms energy: -61.875298 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -8.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -288.654492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.654492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.654492 (E_RNA) where: Base-Base interactions energy: -202.813 where: short stacking energy: -86.564 Base-Backbone interact. energy: -2.477 local terms energy: -83.364849 where: bonds (distance) C4'-P energy: -18.666 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -20.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -280.786119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.786119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.786119 (E_RNA) where: Base-Base interactions energy: -200.006 where: short stacking energy: -84.270 Base-Backbone interact. energy: -0.091 local terms energy: -80.689226 where: bonds (distance) C4'-P energy: -15.092 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -11.852 tors. eta vs tors. theta energy: -20.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -276.340702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.340702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.340702 (E_RNA) where: Base-Base interactions energy: -195.519 where: short stacking energy: -77.141 Base-Backbone interact. energy: -0.110 local terms energy: -80.711515 where: bonds (distance) C4'-P energy: -17.351 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -18.640 flat angles P-C4'-P energy: -11.338 tors. eta vs tors. theta energy: -17.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -244.333286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.333286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.333286 (E_RNA) where: Base-Base interactions energy: -170.718 where: short stacking energy: -88.689 Base-Backbone interact. energy: -0.189 local terms energy: -73.427015 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -11.465 flat angles C4'-P-C4' energy: -16.945 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -19.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -265.899342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.899342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.899342 (E_RNA) where: Base-Base interactions energy: -193.103 where: short stacking energy: -81.484 Base-Backbone interact. energy: -0.293 local terms energy: -72.503292 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -16.556 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -18.032 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: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -250.096554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.096554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.096554 (E_RNA) where: Base-Base interactions energy: -177.214 where: short stacking energy: -66.198 Base-Backbone interact. energy: -1.396 local terms energy: -71.485866 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -18.870 flat angles C4'-P-C4' energy: -17.058 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -11.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -209.981714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.981714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.981714 (E_RNA) where: Base-Base interactions energy: -148.978 where: short stacking energy: -78.874 Base-Backbone interact. energy: -0.003 local terms energy: -61.001269 where: bonds (distance) C4'-P energy: -8.267 bonds (distance) P-C4' energy: -17.425 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -16.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -215.057702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.057702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.057702 (E_RNA) where: Base-Base interactions energy: -144.253 where: short stacking energy: -78.117 Base-Backbone interact. energy: -0.005 local terms energy: -70.799799 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -15.588 flat angles C4'-P-C4' energy: -17.867 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -14.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -107.796140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.796140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.796140 (E_RNA) where: Base-Base interactions energy: -50.051 where: short stacking energy: -40.974 Base-Backbone interact. energy: -0.085 local terms energy: -57.659582 where: bonds (distance) C4'-P energy: -5.984 bonds (distance) P-C4' energy: -15.560 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -94.389489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.389489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.389489 (E_RNA) where: Base-Base interactions energy: -43.744 where: short stacking energy: -33.476 Base-Backbone interact. energy: -0.164 local terms energy: -50.481820 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -15.049 flat angles C4'-P-C4' energy: -9.433 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -5.950 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: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -294.400694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.400694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.400694 (E_RNA) where: Base-Base interactions energy: -209.876 where: short stacking energy: -89.470 Base-Backbone interact. energy: -1.442 local terms energy: -83.082659 where: bonds (distance) C4'-P energy: -17.185 bonds (distance) P-C4' energy: -17.456 flat angles C4'-P-C4' energy: -19.948 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -17.692 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: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -279.313255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.313255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.313255 (E_RNA) where: Base-Base interactions energy: -196.200 where: short stacking energy: -79.988 Base-Backbone interact. energy: 0.902 local terms energy: -84.015026 where: bonds (distance) C4'-P energy: -17.329 bonds (distance) P-C4' energy: -17.542 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -13.229 tors. eta vs tors. theta energy: -17.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -281.338696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.338696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.338696 (E_RNA) where: Base-Base interactions energy: -201.290 where: short stacking energy: -86.987 Base-Backbone interact. energy: -0.182 local terms energy: -79.866581 where: bonds (distance) C4'-P energy: -17.508 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -17.284 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -20.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -273.412568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.412568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.412568 (E_RNA) where: Base-Base interactions energy: -190.545 where: short stacking energy: -86.660 Base-Backbone interact. energy: -0.865 local terms energy: -82.003428 where: bonds (distance) C4'-P energy: -18.505 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -18.520 flat angles P-C4'-P energy: -12.238 tors. eta vs tors. theta energy: -20.633 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: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -247.471897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.471897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.471897 (E_RNA) where: Base-Base interactions energy: -168.086 where: short stacking energy: -86.892 Base-Backbone interact. energy: -0.011 local terms energy: -79.374870 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -16.971 flat angles C4'-P-C4' energy: -17.927 flat angles P-C4'-P energy: -10.890 tors. eta vs tors. theta energy: -19.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -258.025419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.025419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.025419 (E_RNA) where: Base-Base interactions energy: -190.467 where: short stacking energy: -76.544 Base-Backbone interact. energy: -0.900 local terms energy: -66.658152 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -15.078 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -18.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -210.133519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.133519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.133519 (E_RNA) where: Base-Base interactions energy: -135.269 where: short stacking energy: -74.941 Base-Backbone interact. energy: -0.177 local terms energy: -74.688058 where: bonds (distance) C4'-P energy: -18.418 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -14.366 tors. eta vs tors. theta energy: -18.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -201.627833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.627833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.627833 (E_RNA) where: Base-Base interactions energy: -138.112 where: short stacking energy: -59.936 Base-Backbone interact. energy: -0.174 local terms energy: -63.341911 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -11.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -112.422595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.422595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.422595 (E_RNA) where: Base-Base interactions energy: -57.011 where: short stacking energy: -37.534 Base-Backbone interact. energy: -0.135 local terms energy: -55.275877 where: bonds (distance) C4'-P energy: -16.079 bonds (distance) P-C4' energy: -10.160 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -10.655 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: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -88.725668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.725668 (E_RNA) where: Base-Base interactions energy: -36.367 where: short stacking energy: -34.008 Base-Backbone interact. energy: -0.184 local terms energy: -52.175477 where: bonds (distance) C4'-P energy: -15.620 bonds (distance) P-C4' energy: -18.249 flat angles C4'-P-C4' energy: -10.260 flat angles P-C4'-P energy: -9.057 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: 6 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -289.516379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.516379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.516379 (E_RNA) where: Base-Base interactions energy: -200.135 where: short stacking energy: -89.027 Base-Backbone interact. energy: -2.107 local terms energy: -87.274504 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -18.728 flat angles C4'-P-C4' energy: -18.391 flat angles P-C4'-P energy: -11.636 tors. eta vs tors. theta energy: -21.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -281.525222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.525222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.525222 (E_RNA) where: Base-Base interactions energy: -203.469 where: short stacking energy: -90.142 Base-Backbone interact. energy: -0.083 local terms energy: -77.973107 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -16.685 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -273.108883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.108883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.108883 (E_RNA) where: Base-Base interactions energy: -190.831 where: short stacking energy: -83.584 Base-Backbone interact. energy: -0.728 local terms energy: -81.549068 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -19.175 flat angles P-C4'-P energy: -13.476 tors. eta vs tors. theta energy: -19.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -265.207654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.207654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.207654 (E_RNA) where: Base-Base interactions energy: -189.102 where: short stacking energy: -77.860 Base-Backbone interact. energy: -0.122 local terms energy: -75.983425 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -14.788 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -255.152202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.152202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.152202 (E_RNA) where: Base-Base interactions energy: -188.140 where: short stacking energy: -73.112 Base-Backbone interact. energy: -0.310 local terms energy: -66.702105 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -14.636 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: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -235.399649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.399649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.399649 (E_RNA) where: Base-Base interactions energy: -174.149 where: short stacking energy: -87.217 Base-Backbone interact. energy: -0.065 local terms energy: -61.185394 where: bonds (distance) C4'-P energy: -13.673 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -11.030 flat angles P-C4'-P energy: -13.622 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -189.432011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.432011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.432011 (E_RNA) where: Base-Base interactions energy: -123.727 where: short stacking energy: -61.685 Base-Backbone interact. energy: -0.057 local terms energy: -65.647859 where: bonds (distance) C4'-P energy: -15.255 bonds (distance) P-C4' energy: -17.388 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -10.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -253.352281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.352281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.352281 (E_RNA) where: Base-Base interactions energy: -184.913 where: short stacking energy: -77.474 Base-Backbone interact. energy: 2.083 local terms energy: -70.522771 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -18.160 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -20.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -99.240677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.240677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.240677 (E_RNA) where: Base-Base interactions energy: -41.323 where: short stacking energy: -39.553 Base-Backbone interact. energy: 0.354 local terms energy: -58.272434 where: bonds (distance) C4'-P energy: -15.256 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -6.434 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: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -112.437414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.437414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.437414 (E_RNA) where: Base-Base interactions energy: -50.259 where: short stacking energy: -49.930 Base-Backbone interact. energy: 2.609 local terms energy: -64.787515 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -16.785 flat angles P-C4'-P energy: -12.562 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -286.570968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.570968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.570968 (E_RNA) where: Base-Base interactions energy: -208.230 where: short stacking energy: -89.368 Base-Backbone interact. energy: -0.010 local terms energy: -78.331710 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -20.304 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -19.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -287.011774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.011774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.011774 (E_RNA) where: Base-Base interactions energy: -204.703 where: short stacking energy: -86.006 Base-Backbone interact. energy: -0.117 local terms energy: -82.192425 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -17.977 flat angles C4'-P-C4' energy: -18.205 flat angles P-C4'-P energy: -13.611 tors. eta vs tors. theta energy: -19.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -278.022276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.022276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.022276 (E_RNA) where: Base-Base interactions energy: -199.640 where: short stacking energy: -83.961 Base-Backbone interact. energy: 1.112 local terms energy: -79.494408 where: bonds (distance) C4'-P energy: -17.829 bonds (distance) P-C4' energy: -19.644 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -16.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -262.149793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.149793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.149793 (E_RNA) where: Base-Base interactions energy: -187.521 where: short stacking energy: -69.254 Base-Backbone interact. energy: -0.565 local terms energy: -74.063257 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -15.888 flat angles C4'-P-C4' energy: -19.443 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: -12.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -279.701977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.701977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.701977 (E_RNA) where: Base-Base interactions energy: -201.109 where: short stacking energy: -87.770 Base-Backbone interact. energy: -0.103 local terms energy: -78.490526 where: bonds (distance) C4'-P energy: -16.244 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -12.449 tors. eta vs tors. theta energy: -22.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -222.721253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.721253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.721253 (E_RNA) where: Base-Base interactions energy: -140.876 where: short stacking energy: -82.795 Base-Backbone interact. energy: -0.776 local terms energy: -81.069329 where: bonds (distance) C4'-P energy: -16.444 bonds (distance) P-C4' energy: -14.988 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -23.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -200.027618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.027618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.027618 (E_RNA) where: Base-Base interactions energy: -133.317 where: short stacking energy: -57.672 Base-Backbone interact. energy: -0.041 local terms energy: -66.669823 where: bonds (distance) C4'-P energy: -16.523 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -10.669 tors. eta vs tors. theta energy: -10.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -251.169741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.169741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.169741 (E_RNA) where: Base-Base interactions energy: -176.890 where: short stacking energy: -73.058 Base-Backbone interact. energy: -0.412 local terms energy: -73.867495 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -14.229 flat angles C4'-P-C4' energy: -17.024 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -22.824 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: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -122.237468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.237468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.237468 (E_RNA) where: Base-Base interactions energy: -69.286 where: short stacking energy: -44.165 Base-Backbone interact. energy: -0.022 local terms energy: -52.929820 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -7.497 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: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -101.548863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.548863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.548863 (E_RNA) where: Base-Base interactions energy: -43.994 where: short stacking energy: -43.994 Base-Backbone interact. energy: -0.204 local terms energy: -57.351017 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -6.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -287.359396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.359396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.359396 (E_RNA) where: Base-Base interactions energy: -211.757 where: short stacking energy: -87.991 Base-Backbone interact. energy: -0.396 local terms energy: -75.206906 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -16.346 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -21.624 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: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -279.498750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.498750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.498750 (E_RNA) where: Base-Base interactions energy: -194.884 where: short stacking energy: -82.879 Base-Backbone interact. energy: -1.839 local terms energy: -82.775406 where: bonds (distance) C4'-P energy: -18.737 bonds (distance) P-C4' energy: -17.223 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -13.427 tors. eta vs tors. theta energy: -17.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -265.946355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.946355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.946355 (E_RNA) where: Base-Base interactions energy: -194.226 where: short stacking energy: -76.268 Base-Backbone interact. energy: -0.528 local terms energy: -71.192435 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -13.090 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -12.944 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: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -272.455651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.455651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.455651 (E_RNA) where: Base-Base interactions energy: -192.985 where: short stacking energy: -73.960 Base-Backbone interact. energy: -0.717 local terms energy: -78.752919 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -17.585 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -19.671 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: 4 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -268.900449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.900449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.900449 (E_RNA) where: Base-Base interactions energy: -197.073 where: short stacking energy: -87.616 Base-Backbone interact. energy: -0.087 local terms energy: -71.741071 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -12.345 tors. eta vs tors. theta energy: -18.319 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: 6, replica: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -221.934355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.934355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.934355 (E_RNA) where: Base-Base interactions energy: -149.125 where: short stacking energy: -61.292 Base-Backbone interact. energy: -0.111 local terms energy: -72.698349 where: bonds (distance) C4'-P energy: -10.423 bonds (distance) P-C4' energy: -15.415 flat angles C4'-P-C4' energy: -17.641 flat angles P-C4'-P energy: -14.847 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -265.529939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.529939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.529939 (E_RNA) where: Base-Base interactions energy: -191.527 where: short stacking energy: -75.262 Base-Backbone interact. energy: -0.755 local terms energy: -73.247799 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -17.909 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -19.647 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: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -196.499252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.499252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.499252 (E_RNA) where: Base-Base interactions energy: -136.006 where: short stacking energy: -70.084 Base-Backbone interact. energy: -0.743 local terms energy: -59.749871 where: bonds (distance) C4'-P energy: -7.055 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -16.764 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -14.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -108.460674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.460674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.460674 (E_RNA) where: Base-Base interactions energy: -45.233 where: short stacking energy: -42.113 Base-Backbone interact. energy: -0.002 local terms energy: -63.225323 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -17.974 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -9.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -102.988719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.988719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.988719 (E_RNA) where: Base-Base interactions energy: -52.712 where: short stacking energy: -52.712 Base-Backbone interact. energy: -0.106 local terms energy: -50.170933 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -5.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -282.638497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.638497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.638497 (E_RNA) where: Base-Base interactions energy: -197.722 where: short stacking energy: -80.338 Base-Backbone interact. energy: -0.327 local terms energy: -84.589851 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -19.076 flat angles C4'-P-C4' energy: -19.593 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -21.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -271.335026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.335026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.335026 (E_RNA) where: Base-Base interactions energy: -194.726 where: short stacking energy: -80.212 Base-Backbone interact. energy: -0.272 local terms energy: -76.337161 where: bonds (distance) C4'-P energy: -15.256 bonds (distance) P-C4' energy: -17.651 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -14.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -281.995035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.995035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.995035 (E_RNA) where: Base-Base interactions energy: -195.724 where: short stacking energy: -81.870 Base-Backbone interact. energy: -0.105 local terms energy: -86.165666 where: bonds (distance) C4'-P energy: -18.836 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -19.167 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -22.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -276.892050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.892050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.892050 (E_RNA) where: Base-Base interactions energy: -193.367 where: short stacking energy: -81.706 Base-Backbone interact. energy: -1.732 local terms energy: -81.793793 where: bonds (distance) C4'-P energy: -15.184 bonds (distance) P-C4' energy: -18.051 flat angles C4'-P-C4' energy: -17.694 flat angles P-C4'-P energy: -14.048 tors. eta vs tors. theta energy: -16.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -255.221066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.221066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.221066 (E_RNA) where: Base-Base interactions energy: -187.351 where: short stacking energy: -70.595 Base-Backbone interact. energy: -0.630 local terms energy: -67.240136 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -15.648 flat angles C4'-P-C4' energy: -18.101 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -16.187 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: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -256.635849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.635849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.635849 (E_RNA) where: Base-Base interactions energy: -182.791 where: short stacking energy: -69.250 Base-Backbone interact. energy: -0.655 local terms energy: -73.189758 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -198.427744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.427744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.427744 (E_RNA) where: Base-Base interactions energy: -138.428 where: short stacking energy: -52.743 Base-Backbone interact. energy: 0.464 local terms energy: -60.463798 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -16.303 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -12.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -188.540205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.540205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.540205 (E_RNA) where: Base-Base interactions energy: -123.147 where: short stacking energy: -62.701 Base-Backbone interact. energy: -0.011 local terms energy: -65.383013 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -92.764200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.764200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.764200 (E_RNA) where: Base-Base interactions energy: -46.270 where: short stacking energy: -46.270 Base-Backbone interact. energy: 2.574 local terms energy: -49.067990 where: bonds (distance) C4'-P energy: -19.420 bonds (distance) P-C4' energy: -17.505 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -0.572 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: 10, replica: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -99.081823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.081823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.081823 (E_RNA) where: Base-Base interactions energy: -40.824 where: short stacking energy: -37.849 Base-Backbone interact. energy: -0.171 local terms energy: -58.086255 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -11.643 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: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -282.732313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.732313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.732313 (E_RNA) where: Base-Base interactions energy: -204.690 where: short stacking energy: -87.658 Base-Backbone interact. energy: -0.209 local terms energy: -77.832503 where: bonds (distance) C4'-P energy: -16.977 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -17.994 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -19.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -269.182916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.182916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.182916 (E_RNA) where: Base-Base interactions energy: -190.111 where: short stacking energy: -67.909 Base-Backbone interact. energy: -2.119 local terms energy: -76.952891 where: bonds (distance) C4'-P energy: -15.515 bonds (distance) P-C4' energy: -17.754 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -13.678 tors. eta vs tors. theta energy: -14.477 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: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -281.552387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.552387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.552387 (E_RNA) where: Base-Base interactions energy: -198.401 where: short stacking energy: -85.656 Base-Backbone interact. energy: -0.109 local terms energy: -83.042801 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -18.769 flat angles C4'-P-C4' energy: -19.524 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -21.852 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: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -269.326229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.326229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.326229 (E_RNA) where: Base-Base interactions energy: -193.165 where: short stacking energy: -75.866 Base-Backbone interact. energy: -0.749 local terms energy: -75.411499 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -17.203 flat angles C4'-P-C4' energy: -17.922 flat angles P-C4'-P energy: -11.566 tors. eta vs tors. theta energy: -13.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -270.830417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.830417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.830417 (E_RNA) where: Base-Base interactions energy: -192.693 where: short stacking energy: -78.003 Base-Backbone interact. energy: -1.046 local terms energy: -77.091340 where: bonds (distance) C4'-P energy: -16.676 bonds (distance) P-C4' energy: -19.056 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -253.259942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.259942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.259942 (E_RNA) where: Base-Base interactions energy: -177.004 where: short stacking energy: -72.558 Base-Backbone interact. energy: -0.792 local terms energy: -75.463428 where: bonds (distance) C4'-P energy: -16.154 bonds (distance) P-C4' energy: -16.827 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -17.799 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: 148 Temperature: 1.200000 Total energy: -205.769165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.769165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.769165 (E_RNA) where: Base-Base interactions energy: -131.220 where: short stacking energy: -68.000 Base-Backbone interact. energy: -0.734 local terms energy: -73.815454 where: bonds (distance) C4'-P energy: -17.376 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -17.454 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -15.175 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: 8, replica: 9 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -190.982065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.982065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.982065 (E_RNA) where: Base-Base interactions energy: -127.400 where: short stacking energy: -61.607 Base-Backbone interact. energy: -0.094 local terms energy: -63.487966 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -13.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -104.941718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.941718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.941718 (E_RNA) where: Base-Base interactions energy: -55.156 where: short stacking energy: -40.987 Base-Backbone interact. energy: -0.486 local terms energy: -49.299630 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -0.679 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: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -105.070061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.070061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.070061 (E_RNA) where: Base-Base interactions energy: -41.565 where: short stacking energy: -39.128 Base-Backbone interact. energy: -0.159 local terms energy: -63.346644 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -18.361 flat angles C4'-P-C4' energy: -16.215 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -288.288984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.288984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.288984 (E_RNA) where: Base-Base interactions energy: -200.081 where: short stacking energy: -82.103 Base-Backbone interact. energy: -0.180 local terms energy: -88.027781 where: bonds (distance) C4'-P energy: -18.195 bonds (distance) P-C4' energy: -18.489 flat angles C4'-P-C4' energy: -18.213 flat angles P-C4'-P energy: -13.828 tors. eta vs tors. theta energy: -19.303 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: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -270.566010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.566010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.566010 (E_RNA) where: Base-Base interactions energy: -196.312 where: short stacking energy: -76.344 Base-Backbone interact. energy: -0.433 local terms energy: -73.820539 where: bonds (distance) C4'-P energy: -15.937 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -12.886 tors. eta vs tors. theta energy: -12.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -281.188656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.188656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.188656 (E_RNA) where: Base-Base interactions energy: -194.335 where: short stacking energy: -80.164 Base-Backbone interact. energy: -1.163 local terms energy: -85.691240 where: bonds (distance) C4'-P energy: -16.762 bonds (distance) P-C4' energy: -18.414 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -12.674 tors. eta vs tors. theta energy: -22.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -276.015289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.015289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.015289 (E_RNA) where: Base-Base interactions energy: -193.462 where: short stacking energy: -84.752 Base-Backbone interact. energy: -0.992 local terms energy: -81.561099 where: bonds (distance) C4'-P energy: -17.747 bonds (distance) P-C4' energy: -16.893 flat angles C4'-P-C4' energy: -19.184 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -17.415 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: 149 Temperature: 1.100000 Total energy: -263.222616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.222616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.222616 (E_RNA) where: Base-Base interactions energy: -193.411 where: short stacking energy: -73.945 Base-Backbone interact. energy: -0.108 local terms energy: -69.704246 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -16.656 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -17.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -253.743679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.743679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.743679 (E_RNA) where: Base-Base interactions energy: -178.910 where: short stacking energy: -73.412 Base-Backbone interact. energy: -0.384 local terms energy: -74.450142 where: bonds (distance) C4'-P energy: -14.963 bonds (distance) P-C4' energy: -17.042 flat angles C4'-P-C4' energy: -17.350 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -15.704 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: 149 Temperature: 1.200000 Total energy: -216.339820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.339820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.339820 (E_RNA) where: Base-Base interactions energy: -145.284 where: short stacking energy: -63.636 Base-Backbone interact. energy: -0.955 local terms energy: -70.100856 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -14.972 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: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -204.786825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.786825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.786825 (E_RNA) where: Base-Base interactions energy: -132.205 where: short stacking energy: -62.660 Base-Backbone interact. energy: -0.098 local terms energy: -72.483273 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -103.268417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.268417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.268417 (E_RNA) where: Base-Base interactions energy: -44.632 where: short stacking energy: -44.632 Base-Backbone interact. energy: -1.244 local terms energy: -57.392047 where: bonds (distance) C4'-P energy: -11.396 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -7.005 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: 149 Temperature: 1.350000 Total energy: -81.390887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.390887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.390887 (E_RNA) where: Base-Base interactions energy: -30.016 where: short stacking energy: -27.686 Base-Backbone interact. energy: -0.139 local terms energy: -51.236154 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -278.972455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.972455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.972455 (E_RNA) where: Base-Base interactions energy: -201.133 where: short stacking energy: -81.948 Base-Backbone interact. energy: -0.127 local terms energy: -77.711641 where: bonds (distance) C4'-P energy: -17.114 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -14.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -282.911303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.911303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.911303 (E_RNA) where: Base-Base interactions energy: -194.246 where: short stacking energy: -75.355 Base-Backbone interact. energy: -2.314 local terms energy: -86.352156 where: bonds (distance) C4'-P energy: -18.443 bonds (distance) P-C4' energy: -19.417 flat angles C4'-P-C4' energy: -18.593 flat angles P-C4'-P energy: -11.928 tors. eta vs tors. theta energy: -17.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -277.017264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.017264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.017264 (E_RNA) where: Base-Base interactions energy: -197.173 where: short stacking energy: -84.194 Base-Backbone interact. energy: -1.271 local terms energy: -78.572837 where: bonds (distance) C4'-P energy: -17.705 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -16.985 flat angles P-C4'-P energy: -13.051 tors. eta vs tors. theta energy: -18.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -267.827543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.827543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.827543 (E_RNA) where: Base-Base interactions energy: -189.084 where: short stacking energy: -78.460 Base-Backbone interact. energy: -1.921 local terms energy: -76.822617 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -13.382 tors. eta vs tors. theta energy: -19.419 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: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -257.812855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.812855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.812855 (E_RNA) where: Base-Base interactions energy: -179.637 where: short stacking energy: -81.054 Base-Backbone interact. energy: -0.409 local terms energy: -77.767559 where: bonds (distance) C4'-P energy: -17.379 bonds (distance) P-C4' energy: -17.836 flat angles C4'-P-C4' energy: -18.108 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -19.284 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: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -264.884312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.884312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.884312 (E_RNA) where: Base-Base interactions energy: -193.917 where: short stacking energy: -84.619 Base-Backbone interact. energy: -0.069 local terms energy: -70.898484 where: bonds (distance) C4'-P energy: -11.899 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -17.337 flat angles P-C4'-P energy: -5.957 tors. eta vs tors. theta energy: -19.832 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: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -198.666684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.666684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.666684 (E_RNA) where: Base-Base interactions energy: -126.233 where: short stacking energy: -56.817 Base-Backbone interact. energy: 1.621 local terms energy: -74.055462 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -15.218 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -194.353017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.353017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.353017 (E_RNA) where: Base-Base interactions energy: -123.668 where: short stacking energy: -63.891 Base-Backbone interact. energy: -0.151 local terms energy: -70.534192 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -116.384519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.384519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.384519 (E_RNA) where: Base-Base interactions energy: -63.123 where: short stacking energy: -34.144 Base-Backbone interact. energy: -0.476 local terms energy: -52.785632 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -111.505611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.505611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.505611 (E_RNA) where: Base-Base interactions energy: -49.993 where: short stacking energy: -47.728 Base-Backbone interact. energy: -0.292 local terms energy: -61.220124 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -17.351 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: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -272.878307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.878307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.878307 (E_RNA) where: Base-Base interactions energy: -197.442 where: short stacking energy: -78.488 Base-Backbone interact. energy: -1.094 local terms energy: -74.342371 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -16.132 flat angles C4'-P-C4' energy: -16.834 flat angles P-C4'-P energy: -12.590 tors. eta vs tors. theta energy: -13.324 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: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -281.536727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.536727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.536727 (E_RNA) where: Base-Base interactions energy: -197.989 where: short stacking energy: -83.545 Base-Backbone interact. energy: -0.103 local terms energy: -83.444226 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -16.831 flat angles P-C4'-P energy: -13.170 tors. eta vs tors. theta energy: -20.755 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: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -277.633062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.633062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.633062 (E_RNA) where: Base-Base interactions energy: -192.844 where: short stacking energy: -79.822 Base-Backbone interact. energy: -0.218 local terms energy: -84.570334 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -19.961 flat angles P-C4'-P energy: -11.752 tors. eta vs tors. theta energy: -19.422 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: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -258.147014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.147014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.147014 (E_RNA) where: Base-Base interactions energy: -186.294 where: short stacking energy: -83.746 Base-Backbone interact. energy: 0.814 local terms energy: -72.667607 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -12.087 tors. eta vs tors. theta energy: -16.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -267.877930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.877930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.877930 (E_RNA) where: Base-Base interactions energy: -187.215 where: short stacking energy: -78.878 Base-Backbone interact. energy: -1.709 local terms energy: -78.953762 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -18.193 flat angles P-C4'-P energy: -12.485 tors. eta vs tors. theta energy: -21.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -255.221636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.221636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.221636 (E_RNA) where: Base-Base interactions energy: -185.183 where: short stacking energy: -74.329 Base-Backbone interact. energy: -0.520 local terms energy: -69.519234 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -10.218 tors. eta vs tors. theta energy: -21.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -208.673125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.673125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.673125 (E_RNA) where: Base-Base interactions energy: -145.243 where: short stacking energy: -58.451 Base-Backbone interact. energy: -0.248 local terms energy: -63.182376 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -10.189 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: 8, replica: 9 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -203.196241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.196241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.196241 (E_RNA) where: Base-Base interactions energy: -124.345 where: short stacking energy: -62.966 Base-Backbone interact. energy: -0.269 local terms energy: -78.582277 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -13.237 flat angles C4'-P-C4' energy: -16.737 flat angles P-C4'-P energy: -13.471 tors. eta vs tors. theta energy: -19.191 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: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -106.464042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.464042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.464042 (E_RNA) where: Base-Base interactions energy: -52.894 where: short stacking energy: -37.054 Base-Backbone interact. energy: 1.936 local terms energy: -55.506590 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -7.389 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: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -107.080654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.080654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.080654 (E_RNA) where: Base-Base interactions energy: -42.207 where: short stacking energy: -40.788 Base-Backbone interact. energy: -0.206 local terms energy: -64.667754 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -16.352 flat angles C4'-P-C4' energy: -17.377 flat angles P-C4'-P energy: -9.757 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: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -277.470114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.470114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.470114 (E_RNA) where: Base-Base interactions energy: -197.164 where: short stacking energy: -80.009 Base-Backbone interact. energy: -0.418 local terms energy: -79.888467 where: bonds (distance) C4'-P energy: -16.629 bonds (distance) P-C4' energy: -15.620 flat angles C4'-P-C4' energy: -17.059 flat angles P-C4'-P energy: -11.618 tors. eta vs tors. theta energy: -18.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -271.658082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.658082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.658082 (E_RNA) where: Base-Base interactions energy: -196.614 where: short stacking energy: -78.458 Base-Backbone interact. energy: -0.214 local terms energy: -74.829238 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -14.566 flat angles C4'-P-C4' energy: -18.456 flat angles P-C4'-P energy: -12.760 tors. eta vs tors. theta energy: -15.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -251.430393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.430393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.430393 (E_RNA) where: Base-Base interactions energy: -174.593 where: short stacking energy: -76.754 Base-Backbone interact. energy: -0.001 local terms energy: -76.836611 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -16.697 flat angles C4'-P-C4' energy: -17.221 flat angles P-C4'-P energy: -13.137 tors. eta vs tors. theta energy: -16.968 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: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -276.924973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.924973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.924973 (E_RNA) where: Base-Base interactions energy: -197.920 where: short stacking energy: -76.633 Base-Backbone interact. energy: -1.113 local terms energy: -77.891945 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -16.419 flat angles C4'-P-C4' energy: -15.963 flat angles P-C4'-P energy: -12.599 tors. eta vs tors. theta energy: -16.323 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: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -264.175458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.175458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.175458 (E_RNA) where: Base-Base interactions energy: -190.158 where: short stacking energy: -84.733 Base-Backbone interact. energy: -0.951 local terms energy: -73.066519 where: bonds (distance) C4'-P energy: -18.268 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -17.601 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -18.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -263.560525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.560525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.560525 (E_RNA) where: Base-Base interactions energy: -191.370 where: short stacking energy: -74.678 Base-Backbone interact. energy: -0.989 local terms energy: -71.202293 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -15.437 flat angles P-C4'-P energy: -11.942 tors. eta vs tors. theta energy: -16.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -217.538282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.538282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.538282 (E_RNA) where: Base-Base interactions energy: -148.015 where: short stacking energy: -90.099 Base-Backbone interact. energy: -0.002 local terms energy: -69.521836 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -17.533 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -20.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -194.215960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.215960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.215960 (E_RNA) where: Base-Base interactions energy: -123.972 where: short stacking energy: -66.216 Base-Backbone interact. energy: -0.099 local terms energy: -70.144456 where: bonds (distance) C4'-P energy: -16.427 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -16.408 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: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -99.845445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.845445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.845445 (E_RNA) where: Base-Base interactions energy: -50.869 where: short stacking energy: -35.480 Base-Backbone interact. energy: -0.165 local terms energy: -48.810885 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -11.870 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -101.288447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.288447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.288447 (E_RNA) where: Base-Base interactions energy: -41.004 where: short stacking energy: -38.646 Base-Backbone interact. energy: -0.204 local terms energy: -60.081285 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -11.612 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -10.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -278.637685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.637685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.637685 (E_RNA) where: Base-Base interactions energy: -195.344 where: short stacking energy: -84.596 Base-Backbone interact. energy: -0.360 local terms energy: -82.932751 where: bonds (distance) C4'-P energy: -17.003 bonds (distance) P-C4' energy: -18.394 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -20.715 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: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -264.977588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.977588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.977588 (E_RNA) where: Base-Base interactions energy: -191.535 where: short stacking energy: -71.628 Base-Backbone interact. energy: -0.239 local terms energy: -73.203559 where: bonds (distance) C4'-P energy: -17.718 bonds (distance) P-C4' energy: -16.271 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -14.062 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -249.824009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.824009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.824009 (E_RNA) where: Base-Base interactions energy: -183.794 where: short stacking energy: -69.140 Base-Backbone interact. energy: -0.854 local terms energy: -65.175918 where: bonds (distance) C4'-P energy: -7.997 bonds (distance) P-C4' energy: -17.723 flat angles C4'-P-C4' energy: -18.375 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -12.972 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: 8 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -271.021374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.021374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.021374 (E_RNA) where: Base-Base interactions energy: -195.771 where: short stacking energy: -78.370 Base-Backbone interact. energy: -0.154 local terms energy: -75.096137 where: bonds (distance) C4'-P energy: -16.451 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -16.981 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -21.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -266.429851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.429851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.429851 (E_RNA) where: Base-Base interactions energy: -189.570 where: short stacking energy: -73.193 Base-Backbone interact. energy: -0.633 local terms energy: -76.227209 where: bonds (distance) C4'-P energy: -19.278 bonds (distance) P-C4' energy: -15.238 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -19.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -261.703364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.703364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.703364 (E_RNA) where: Base-Base interactions energy: -192.597 where: short stacking energy: -80.821 Base-Backbone interact. energy: 0.094 local terms energy: -69.200202 where: bonds (distance) C4'-P energy: -14.863 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -7.538 tors. eta vs tors. theta energy: -19.496 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: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -206.553410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.553410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.553410 (E_RNA) where: Base-Base interactions energy: -133.650 where: short stacking energy: -73.132 Base-Backbone interact. energy: -1.705 local terms energy: -71.198790 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -11.378 tors. eta vs tors. theta energy: -15.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -180.272975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.272975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.272975 (E_RNA) where: Base-Base interactions energy: -115.845 where: short stacking energy: -60.964 Base-Backbone interact. energy: 0.239 local terms energy: -64.666599 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -19.073 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -7.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -109.134595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.134595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.134595 (E_RNA) where: Base-Base interactions energy: -46.048 where: short stacking energy: -44.112 Base-Backbone interact. energy: -0.001 local terms energy: -63.086091 where: bonds (distance) C4'-P energy: -18.435 bonds (distance) P-C4' energy: -11.029 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -10.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -129.541143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.541143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.541143 (E_RNA) where: Base-Base interactions energy: -78.112 where: short stacking energy: -35.589 Base-Backbone interact. energy: -0.596 local terms energy: -50.832835 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -16.323 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -4.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -293.493551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.493551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.493551 (E_RNA) where: Base-Base interactions energy: -207.441 where: short stacking energy: -86.315 Base-Backbone interact. energy: -2.333 local terms energy: -83.719530 where: bonds (distance) C4'-P energy: -16.353 bonds (distance) P-C4' energy: -17.986 flat angles C4'-P-C4' energy: -15.996 flat angles P-C4'-P energy: -11.932 tors. eta vs tors. theta energy: -21.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -269.891125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.891125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.891125 (E_RNA) where: Base-Base interactions energy: -193.072 where: short stacking energy: -73.524 Base-Backbone interact. energy: -0.275 local terms energy: -76.543518 where: bonds (distance) C4'-P energy: -19.039 bonds (distance) P-C4' energy: -18.170 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: -15.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -276.889564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.889564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.889564 (E_RNA) where: Base-Base interactions energy: -202.863 where: short stacking energy: -82.240 Base-Backbone interact. energy: 0.284 local terms energy: -74.310607 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -270.443167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.443167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.443167 (E_RNA) where: Base-Base interactions energy: -192.713 where: short stacking energy: -77.785 Base-Backbone interact. energy: -1.226 local terms energy: -76.504624 where: bonds (distance) C4'-P energy: -18.294 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -17.199 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -18.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -274.109576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.109576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.109576 (E_RNA) where: Base-Base interactions energy: -197.176 where: short stacking energy: -79.739 Base-Backbone interact. energy: -1.575 local terms energy: -75.358524 where: bonds (distance) C4'-P energy: -17.296 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -12.147 flat angles P-C4'-P energy: -13.142 tors. eta vs tors. theta energy: -15.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -265.715816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.715816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.715816 (E_RNA) where: Base-Base interactions energy: -194.939 where: short stacking energy: -80.389 Base-Backbone interact. energy: -0.145 local terms energy: -70.632396 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -15.931 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -19.573 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: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -195.135067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.135067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.135067 (E_RNA) where: Base-Base interactions energy: -130.541 where: short stacking energy: -61.897 Base-Backbone interact. energy: -0.372 local terms energy: -64.221841 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -11.191 tors. eta vs tors. theta energy: -12.775 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: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -199.286543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.286543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.286543 (E_RNA) where: Base-Base interactions energy: -130.924 where: short stacking energy: -68.886 Base-Backbone interact. energy: -0.014 local terms energy: -68.348328 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -14.928 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -19.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -104.370304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.370304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.370304 (E_RNA) where: Base-Base interactions energy: -51.118 where: short stacking energy: -32.326 Base-Backbone interact. energy: -0.022 local terms energy: -53.230881 where: bonds (distance) C4'-P energy: -15.018 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -9.880 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: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -156.094678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.094678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.094678 (E_RNA) where: Base-Base interactions energy: -106.779 where: short stacking energy: -48.097 Base-Backbone interact. energy: 0.658 local terms energy: -49.973815 where: bonds (distance) C4'-P energy: -8.966 bonds (distance) P-C4' energy: -17.539 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -7.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -287.004176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.004176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.004176 (E_RNA) where: Base-Base interactions energy: -202.853 where: short stacking energy: -86.507 Base-Backbone interact. energy: -0.121 local terms energy: -84.029407 where: bonds (distance) C4'-P energy: -16.962 bonds (distance) P-C4' energy: -17.945 flat angles C4'-P-C4' energy: -17.772 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -20.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -277.870909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.870909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.870909 (E_RNA) where: Base-Base interactions energy: -196.232 where: short stacking energy: -77.156 Base-Backbone interact. energy: 0.095 local terms energy: -81.734475 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -18.455 flat angles C4'-P-C4' energy: -17.386 flat angles P-C4'-P energy: -12.332 tors. eta vs tors. theta energy: -18.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -273.894793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.894793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.894793 (E_RNA) where: Base-Base interactions energy: -197.502 where: short stacking energy: -80.325 Base-Backbone interact. energy: -0.703 local terms energy: -75.689927 where: bonds (distance) C4'-P energy: -16.392 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -13.201 tors. eta vs tors. theta energy: -16.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -274.501156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.501156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.501156 (E_RNA) where: Base-Base interactions energy: -197.596 where: short stacking energy: -81.830 Base-Backbone interact. energy: -0.116 local terms energy: -76.789383 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -11.942 tors. eta vs tors. theta energy: -20.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -265.762618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.762618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.762618 (E_RNA) where: Base-Base interactions energy: -188.681 where: short stacking energy: -74.476 Base-Backbone interact. energy: 0.360 local terms energy: -77.442438 where: bonds (distance) C4'-P energy: -17.726 bonds (distance) P-C4' energy: -12.881 flat angles C4'-P-C4' energy: -18.520 flat angles P-C4'-P energy: -11.613 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -263.540660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.540660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.540660 (E_RNA) where: Base-Base interactions energy: -184.491 where: short stacking energy: -75.578 Base-Backbone interact. energy: -0.863 local terms energy: -78.186799 where: bonds (distance) C4'-P energy: -15.542 bonds (distance) P-C4' energy: -15.692 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -10.990 tors. eta vs tors. theta energy: -21.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -192.109207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.109207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.109207 (E_RNA) where: Base-Base interactions energy: -121.821 where: short stacking energy: -55.454 Base-Backbone interact. energy: -0.169 local terms energy: -70.118473 where: bonds (distance) C4'-P energy: -18.319 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -12.987 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -205.283087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.283087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.283087 (E_RNA) where: Base-Base interactions energy: -150.229 where: short stacking energy: -74.714 Base-Backbone interact. energy: 0.985 local terms energy: -56.039040 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -14.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -118.813163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.813163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.813163 (E_RNA) where: Base-Base interactions energy: -64.908 where: short stacking energy: -40.790 Base-Backbone interact. energy: -0.721 local terms energy: -53.184628 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -7.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -151.906078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.906078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.906078 (E_RNA) where: Base-Base interactions energy: -98.109 where: short stacking energy: -42.153 Base-Backbone interact. energy: 1.206 local terms energy: -55.002789 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -16.164 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -286.319642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.319642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.319642 (E_RNA) where: Base-Base interactions energy: -199.173 where: short stacking energy: -80.989 Base-Backbone interact. energy: -0.871 local terms energy: -86.276496 where: bonds (distance) C4'-P energy: -18.237 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -13.376 tors. eta vs tors. theta energy: -21.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -270.867217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.867217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.867217 (E_RNA) where: Base-Base interactions energy: -192.353 where: short stacking energy: -80.955 Base-Backbone interact. energy: -0.256 local terms energy: -78.257449 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -17.949 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -13.115 tors. eta vs tors. theta energy: -16.523 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: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -278.741769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.741769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.741769 (E_RNA) where: Base-Base interactions energy: -202.676 where: short stacking energy: -88.666 Base-Backbone interact. energy: -0.092 local terms energy: -75.973543 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -19.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -267.302347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.302347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.302347 (E_RNA) where: Base-Base interactions energy: -192.110 where: short stacking energy: -73.130 Base-Backbone interact. energy: -0.168 local terms energy: -75.023723 where: bonds (distance) C4'-P energy: -14.853 bonds (distance) P-C4' energy: -16.416 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -13.584 tors. eta vs tors. theta energy: -14.213 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: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -286.129361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.129361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.129361 (E_RNA) where: Base-Base interactions energy: -203.308 where: short stacking energy: -84.706 Base-Backbone interact. energy: -0.125 local terms energy: -82.696287 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -17.128 flat angles P-C4'-P energy: -12.300 tors. eta vs tors. theta energy: -20.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -266.028119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.028119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.028119 (E_RNA) where: Base-Base interactions energy: -190.590 where: short stacking energy: -75.108 Base-Backbone interact. energy: -0.313 local terms energy: -75.125895 where: bonds (distance) C4'-P energy: -17.655 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -17.956 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -17.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -221.611075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.611075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.611075 (E_RNA) where: Base-Base interactions energy: -145.140 where: short stacking energy: -79.974 Base-Backbone interact. energy: -0.035 local terms energy: -76.436533 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -18.280 flat angles P-C4'-P energy: -12.076 tors. eta vs tors. theta energy: -20.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -208.514284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.514284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.514284 (E_RNA) where: Base-Base interactions energy: -132.073 where: short stacking energy: -60.616 Base-Backbone interact. energy: -0.471 local terms energy: -75.970228 where: bonds (distance) C4'-P energy: -16.601 bonds (distance) P-C4' energy: -17.646 flat angles C4'-P-C4' energy: -16.626 flat angles P-C4'-P energy: -13.942 tors. eta vs tors. theta energy: -11.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -143.784605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.784605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.784605 (E_RNA) where: Base-Base interactions energy: -89.152 where: short stacking energy: -57.498 Base-Backbone interact. energy: -0.114 local terms energy: -54.518721 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -11.030 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: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -128.070819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.070819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.070819 (E_RNA) where: Base-Base interactions energy: -80.930 where: short stacking energy: -44.292 Base-Backbone interact. energy: -0.563 local terms energy: -46.577769 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -11.536 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -288.844897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.844897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.844897 (E_RNA) where: Base-Base interactions energy: -204.886 where: short stacking energy: -84.950 Base-Backbone interact. energy: -1.081 local terms energy: -82.877117 where: bonds (distance) C4'-P energy: -15.673 bonds (distance) P-C4' energy: -19.007 flat angles C4'-P-C4' energy: -18.257 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -285.434064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.434064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.434064 (E_RNA) where: Base-Base interactions energy: -205.857 where: short stacking energy: -84.676 Base-Backbone interact. energy: -0.545 local terms energy: -79.032671 where: bonds (distance) C4'-P energy: -14.824 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -16.873 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -20.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -275.077737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.077737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.077737 (E_RNA) where: Base-Base interactions energy: -192.021 where: short stacking energy: -75.396 Base-Backbone interact. energy: -0.077 local terms energy: -82.979665 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -18.086 flat angles C4'-P-C4' energy: -17.979 flat angles P-C4'-P energy: -14.104 tors. eta vs tors. theta energy: -17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -270.064368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.064368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.064368 (E_RNA) where: Base-Base interactions energy: -193.165 where: short stacking energy: -77.374 Base-Backbone interact. energy: 0.743 local terms energy: -77.642106 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -15.682 flat angles P-C4'-P energy: -15.607 tors. eta vs tors. theta energy: -20.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -262.445117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.445117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.445117 (E_RNA) where: Base-Base interactions energy: -195.436 where: short stacking energy: -74.292 Base-Backbone interact. energy: -0.466 local terms energy: -66.542206 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -13.642 flat angles P-C4'-P energy: -14.685 tors. eta vs tors. theta energy: -13.581 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: 157 Temperature: 1.150000 Total energy: -260.278046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.278046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.278046 (E_RNA) where: Base-Base interactions energy: -184.215 where: short stacking energy: -73.764 Base-Backbone interact. energy: -0.069 local terms energy: -75.994116 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -17.953 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -20.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -206.052352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.052352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.052352 (E_RNA) where: Base-Base interactions energy: -132.842 where: short stacking energy: -64.108 Base-Backbone interact. energy: -0.008 local terms energy: -73.202532 where: bonds (distance) C4'-P energy: -13.636 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -16.647 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: -16.689 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: 2 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -135.035139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.035139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.035139 (E_RNA) where: Base-Base interactions energy: -82.705 where: short stacking energy: -39.440 Base-Backbone interact. energy: -0.582 local terms energy: -51.747574 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -10.412 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -11.035 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -191.473072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.473072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.473072 (E_RNA) where: Base-Base interactions energy: -126.503 where: short stacking energy: -52.260 Base-Backbone interact. energy: -0.251 local terms energy: -64.719635 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -19.339 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -9.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -95.272774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.272774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.272774 (E_RNA) where: Base-Base interactions energy: -47.138 where: short stacking energy: -41.747 Base-Backbone interact. energy: -0.321 local terms energy: -47.814051 where: bonds (distance) C4'-P energy: -9.174 bonds (distance) P-C4' energy: -12.781 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -294.342969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.342969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.342969 (E_RNA) where: Base-Base interactions energy: -207.475 where: short stacking energy: -90.263 Base-Backbone interact. energy: -0.163 local terms energy: -86.704432 where: bonds (distance) C4'-P energy: -17.423 bonds (distance) P-C4' energy: -19.528 flat angles C4'-P-C4' energy: -18.918 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -21.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -283.170652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.170652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.170652 (E_RNA) where: Base-Base interactions energy: -204.256 where: short stacking energy: -83.963 Base-Backbone interact. energy: -0.792 local terms energy: -78.122522 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -15.911 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -14.266 tors. eta vs tors. theta energy: -20.177 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: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -270.883549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.883549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.883549 (E_RNA) where: Base-Base interactions energy: -193.090 where: short stacking energy: -79.071 Base-Backbone interact. energy: -0.090 local terms energy: -77.703584 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -18.169 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -18.143 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: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -264.725936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.725936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.725936 (E_RNA) where: Base-Base interactions energy: -188.981 where: short stacking energy: -74.485 Base-Backbone interact. energy: 0.461 local terms energy: -76.205608 where: bonds (distance) C4'-P energy: -16.772 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -16.560 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -19.081 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: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -267.067441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.067441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.067441 (E_RNA) where: Base-Base interactions energy: -189.609 where: short stacking energy: -75.155 Base-Backbone interact. energy: -0.086 local terms energy: -77.372019 where: bonds (distance) C4'-P energy: -16.200 bonds (distance) P-C4' energy: -15.370 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -14.042 tors. eta vs tors. theta energy: -16.784 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: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -260.114754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.114754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.114754 (E_RNA) where: Base-Base interactions energy: -192.884 where: short stacking energy: -80.092 Base-Backbone interact. energy: -0.188 local terms energy: -67.042425 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -11.495 flat angles C4'-P-C4' energy: -15.876 flat angles P-C4'-P energy: -12.595 tors. eta vs tors. theta energy: -14.004 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: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -213.178697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.178697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.178697 (E_RNA) where: Base-Base interactions energy: -131.726 where: short stacking energy: -75.872 Base-Backbone interact. energy: -0.103 local terms energy: -81.350499 where: bonds (distance) C4'-P energy: -19.485 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -17.369 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -17.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -140.551163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.551163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.551163 (E_RNA) where: Base-Base interactions energy: -80.914 where: short stacking energy: -58.094 Base-Backbone interact. energy: -0.080 local terms energy: -59.557346 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -11.733 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -196.299254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.299254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.299254 (E_RNA) where: Base-Base interactions energy: -127.385 where: short stacking energy: -67.091 Base-Backbone interact. energy: -0.030 local terms energy: -68.884607 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -12.319 tors. eta vs tors. theta energy: -16.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -92.978495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.978495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.978495 (E_RNA) where: Base-Base interactions energy: -39.245 where: short stacking energy: -33.273 Base-Backbone interact. energy: -0.232 local terms energy: -53.501528 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -7.967 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: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -287.567314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.567314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.567314 (E_RNA) where: Base-Base interactions energy: -210.295 where: short stacking energy: -90.356 Base-Backbone interact. energy: -0.806 local terms energy: -76.465526 where: bonds (distance) C4'-P energy: -15.222 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -20.938 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: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -286.193770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.193770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.193770 (E_RNA) where: Base-Base interactions energy: -203.391 where: short stacking energy: -88.658 Base-Backbone interact. energy: -0.155 local terms energy: -82.646886 where: bonds (distance) C4'-P energy: -18.824 bonds (distance) P-C4' energy: -15.454 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -11.292 tors. eta vs tors. theta energy: -21.716 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: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -269.014848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.014848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.014848 (E_RNA) where: Base-Base interactions energy: -190.595 where: short stacking energy: -80.296 Base-Backbone interact. energy: -0.384 local terms energy: -78.036678 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -18.675 flat angles C4'-P-C4' energy: -19.355 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -17.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -274.786103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.786103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.786103 (E_RNA) where: Base-Base interactions energy: -193.299 where: short stacking energy: -84.760 Base-Backbone interact. energy: -0.676 local terms energy: -80.810498 where: bonds (distance) C4'-P energy: -17.111 bonds (distance) P-C4' energy: -15.627 flat angles C4'-P-C4' energy: -18.825 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -19.616 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: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -268.128443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.128443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.128443 (E_RNA) where: Base-Base interactions energy: -189.479 where: short stacking energy: -74.074 Base-Backbone interact. energy: -1.051 local terms energy: -77.598318 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -18.354 flat angles C4'-P-C4' energy: -17.078 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -19.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -261.046846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.046846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.046846 (E_RNA) where: Base-Base interactions energy: -189.897 where: short stacking energy: -77.245 Base-Backbone interact. energy: -0.240 local terms energy: -70.909430 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -16.713 flat angles C4'-P-C4' energy: -16.790 flat angles P-C4'-P energy: -13.164 tors. eta vs tors. theta energy: -12.743 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: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -194.931364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.931364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.931364 (E_RNA) where: Base-Base interactions energy: -132.954 where: short stacking energy: -60.073 Base-Backbone interact. energy: -0.129 local terms energy: -61.848198 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -15.093 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -11.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -192.898133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.898133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.898133 (E_RNA) where: Base-Base interactions energy: -124.916 where: short stacking energy: -59.864 Base-Backbone interact. energy: -0.223 local terms energy: -67.758905 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -14.866 flat angles C4'-P-C4' energy: -17.636 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -13.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -131.403829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.403829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.403829 (E_RNA) where: Base-Base interactions energy: -69.842 where: short stacking energy: -47.750 Base-Backbone interact. energy: -1.234 local terms energy: -60.328538 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -18.196 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -6.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -185.664081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.664081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.664081 (E_RNA) where: Base-Base interactions energy: -121.373 where: short stacking energy: -55.809 Base-Backbone interact. energy: -0.676 local terms energy: -63.614551 where: bonds (distance) C4'-P energy: -8.875 bonds (distance) P-C4' energy: -15.835 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -14.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -288.127507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.127507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.127507 (E_RNA) where: Base-Base interactions energy: -205.806 where: short stacking energy: -96.663 Base-Backbone interact. energy: -0.104 local terms energy: -82.217978 where: bonds (distance) C4'-P energy: -17.031 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -19.967 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -19.312 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: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -280.743335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.743335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.743335 (E_RNA) where: Base-Base interactions energy: -194.414 where: short stacking energy: -79.635 Base-Backbone interact. energy: 0.255 local terms energy: -86.584578 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -17.502 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -15.277 tors. eta vs tors. theta energy: -20.274 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: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -278.817175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.817175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.817175 (E_RNA) where: Base-Base interactions energy: -192.907 where: short stacking energy: -82.967 Base-Backbone interact. energy: 0.650 local terms energy: -86.560588 where: bonds (distance) C4'-P energy: -15.851 bonds (distance) P-C4' energy: -20.458 flat angles C4'-P-C4' energy: -17.420 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -19.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -268.051583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.051583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.051583 (E_RNA) where: Base-Base interactions energy: -188.257 where: short stacking energy: -85.994 Base-Backbone interact. energy: -0.068 local terms energy: -79.727228 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -19.954 flat angles C4'-P-C4' energy: -18.274 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -16.370 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: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -261.115213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.115213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.115213 (E_RNA) where: Base-Base interactions energy: -190.233 where: short stacking energy: -68.225 Base-Backbone interact. energy: 2.379 local terms energy: -73.261133 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -17.185 flat angles C4'-P-C4' energy: -17.831 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -12.193 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: 160 Temperature: 1.150000 Total energy: -263.933995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.933995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.933995 (E_RNA) where: Base-Base interactions energy: -186.158 where: short stacking energy: -78.399 Base-Backbone interact. energy: 0.422 local terms energy: -78.197402 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -19.352 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -17.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -220.804083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.804083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.804083 (E_RNA) where: Base-Base interactions energy: -147.366 where: short stacking energy: -85.612 Base-Backbone interact. energy: -0.181 local terms energy: -73.256807 where: bonds (distance) C4'-P energy: -11.677 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -19.407 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -17.857 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: 160 Temperature: 1.250000 Total energy: -180.837779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.837779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.837779 (E_RNA) where: Base-Base interactions energy: -119.122 where: short stacking energy: -56.412 Base-Backbone interact. energy: -0.259 local terms energy: -61.456896 where: bonds (distance) C4'-P energy: -15.008 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -10.212 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: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -204.684794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.684794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.684794 (E_RNA) where: Base-Base interactions energy: -134.688 where: short stacking energy: -63.186 Base-Backbone interact. energy: 0.594 local terms energy: -70.590043 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -15.626 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: 160 Temperature: 1.350000 Total energy: -129.692302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.692302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.692302 (E_RNA) where: Base-Base interactions energy: -84.173 where: short stacking energy: -40.605 Base-Backbone interact. energy: -0.231 local terms energy: -45.288557 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -11.055 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -284.760263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.760263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.760263 (E_RNA) where: Base-Base interactions energy: -203.017 where: short stacking energy: -84.580 Base-Backbone interact. energy: -0.172 local terms energy: -81.571223 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -18.103 flat angles C4'-P-C4' energy: -17.519 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -21.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -286.894343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.894343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.894343 (E_RNA) where: Base-Base interactions energy: -204.314 where: short stacking energy: -85.930 Base-Backbone interact. energy: 0.244 local terms energy: -82.824102 where: bonds (distance) C4'-P energy: -15.160 bonds (distance) P-C4' energy: -18.443 flat angles C4'-P-C4' energy: -18.448 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -18.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -278.884779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.884779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.884779 (E_RNA) where: Base-Base interactions energy: -195.307 where: short stacking energy: -80.399 Base-Backbone interact. energy: -2.404 local terms energy: -81.173564 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -18.108 flat angles C4'-P-C4' energy: -15.668 flat angles P-C4'-P energy: -13.468 tors. eta vs tors. theta energy: -21.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -262.267580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.267580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.267580 (E_RNA) where: Base-Base interactions energy: -192.754 where: short stacking energy: -72.093 Base-Backbone interact. energy: -1.045 local terms energy: -68.468837 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -17.413 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -14.487 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: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -268.180957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.180957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.180957 (E_RNA) where: Base-Base interactions energy: -194.474 where: short stacking energy: -82.473 Base-Backbone interact. energy: 0.171 local terms energy: -73.877574 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -18.574 flat angles P-C4'-P energy: -13.259 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -255.646241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.646241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.646241 (E_RNA) where: Base-Base interactions energy: -181.982 where: short stacking energy: -73.684 Base-Backbone interact. energy: -0.578 local terms energy: -73.085823 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -14.354 tors. eta vs tors. theta energy: -17.893 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: 161 Temperature: 1.200000 Total energy: -194.021509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.021509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.021509 (E_RNA) where: Base-Base interactions energy: -129.191 where: short stacking energy: -58.380 Base-Backbone interact. energy: -1.864 local terms energy: -62.966207 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -14.382 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -13.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -204.330338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.330338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.330338 (E_RNA) where: Base-Base interactions energy: -139.723 where: short stacking energy: -68.246 Base-Backbone interact. energy: -0.000 local terms energy: -64.607180 where: bonds (distance) C4'-P energy: -14.900 bonds (distance) P-C4' energy: -12.171 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -14.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -187.235486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.235486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.235486 (E_RNA) where: Base-Base interactions energy: -118.250 where: short stacking energy: -60.621 Base-Backbone interact. energy: -1.192 local terms energy: -67.794002 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -13.403 tors. eta vs tors. theta energy: -13.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -101.778914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.778914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.778914 (E_RNA) where: Base-Base interactions energy: -49.442 where: short stacking energy: -32.612 Base-Backbone interact. energy: -0.254 local terms energy: -52.082788 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -18.401 flat angles C4'-P-C4' energy: -8.780 flat angles P-C4'-P energy: -9.095 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -288.115418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.115418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.115418 (E_RNA) where: Base-Base interactions energy: -200.271 where: short stacking energy: -85.458 Base-Backbone interact. energy: -1.702 local terms energy: -86.142300 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -19.231 flat angles C4'-P-C4' energy: -17.934 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -21.653 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: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -276.808653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.808653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.808653 (E_RNA) where: Base-Base interactions energy: -195.773 where: short stacking energy: -81.524 Base-Backbone interact. energy: 1.277 local terms energy: -82.311932 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -18.029 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -20.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -278.996657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.996657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.996657 (E_RNA) where: Base-Base interactions energy: -196.461 where: short stacking energy: -78.802 Base-Backbone interact. energy: -1.394 local terms energy: -81.141248 where: bonds (distance) C4'-P energy: -17.855 bonds (distance) P-C4' energy: -19.055 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -13.484 tors. eta vs tors. theta energy: -16.852 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: 162 Temperature: 1.050000 Total energy: -278.158160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.158160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.158160 (E_RNA) where: Base-Base interactions energy: -194.137 where: short stacking energy: -85.641 Base-Backbone interact. energy: -0.768 local terms energy: -83.253358 where: bonds (distance) C4'-P energy: -15.847 bonds (distance) P-C4' energy: -18.877 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -18.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -260.215641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.215641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.215641 (E_RNA) where: Base-Base interactions energy: -184.397 where: short stacking energy: -75.727 Base-Backbone interact. energy: -0.115 local terms energy: -75.704434 where: bonds (distance) C4'-P energy: -15.291 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -20.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -267.312135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.312135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.312135 (E_RNA) where: Base-Base interactions energy: -189.849 where: short stacking energy: -77.301 Base-Backbone interact. energy: -0.049 local terms energy: -77.414139 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -15.686 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -240.607094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.607094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.607094 (E_RNA) where: Base-Base interactions energy: -160.158 where: short stacking energy: -65.983 Base-Backbone interact. energy: -0.319 local terms energy: -80.130285 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -18.301 flat angles C4'-P-C4' energy: -15.102 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -17.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -187.789379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.789379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.789379 (E_RNA) where: Base-Base interactions energy: -118.875 where: short stacking energy: -58.431 Base-Backbone interact. energy: -0.190 local terms energy: -68.724974 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -8.230 tors. eta vs tors. theta energy: -14.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -181.545670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.545670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.545670 (E_RNA) where: Base-Base interactions energy: -121.671 where: short stacking energy: -51.985 Base-Backbone interact. energy: -0.091 local terms energy: -59.784127 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -16.296 flat angles P-C4'-P energy: -10.264 tors. eta vs tors. theta energy: -7.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -97.506351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.506351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.506351 (E_RNA) where: Base-Base interactions energy: -43.090 where: short stacking energy: -43.090 Base-Backbone interact. energy: -0.129 local terms energy: -54.286772 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -4.120 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -285.073230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.073230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.073230 (E_RNA) where: Base-Base interactions energy: -206.002 where: short stacking energy: -90.224 Base-Backbone interact. energy: -0.313 local terms energy: -78.757696 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -18.765 flat angles P-C4'-P energy: -14.031 tors. eta vs tors. theta energy: -21.880 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: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -281.587520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.587520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.587520 (E_RNA) where: Base-Base interactions energy: -199.156 where: short stacking energy: -85.890 Base-Backbone interact. energy: -0.956 local terms energy: -81.475694 where: bonds (distance) C4'-P energy: -17.288 bonds (distance) P-C4' energy: -17.161 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -19.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -265.731822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.731822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.731822 (E_RNA) where: Base-Base interactions energy: -190.556 where: short stacking energy: -68.379 Base-Backbone interact. energy: -0.197 local terms energy: -74.978508 where: bonds (distance) C4'-P energy: -16.778 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -16.203 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -15.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -264.888772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.888772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.888772 (E_RNA) where: Base-Base interactions energy: -188.913 where: short stacking energy: -76.147 Base-Backbone interact. energy: -0.766 local terms energy: -75.209899 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -16.437 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -20.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -268.968392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.968392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.968392 (E_RNA) where: Base-Base interactions energy: -186.052 where: short stacking energy: -76.209 Base-Backbone interact. energy: -1.419 local terms energy: -81.497480 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -18.382 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -15.051 tors. eta vs tors. theta energy: -19.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -253.812009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.812009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.812009 (E_RNA) where: Base-Base interactions energy: -184.986 where: short stacking energy: -79.135 Base-Backbone interact. energy: -0.581 local terms energy: -68.244265 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -7.369 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -21.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -250.521556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.521556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.521556 (E_RNA) where: Base-Base interactions energy: -187.828 where: short stacking energy: -75.615 Base-Backbone interact. energy: 0.012 local terms energy: -62.704876 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -12.221 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -17.364 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: 163 Temperature: 1.250000 Total energy: -207.075142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.075142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.075142 (E_RNA) where: Base-Base interactions energy: -145.049 where: short stacking energy: -66.047 Base-Backbone interact. energy: -0.153 local terms energy: -61.872729 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -11.593 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -13.024 tors. eta vs tors. theta energy: -11.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -199.104518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.104518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.104518 (E_RNA) where: Base-Base interactions energy: -129.756 where: short stacking energy: -62.203 Base-Backbone interact. energy: 0.169 local terms energy: -69.517320 where: bonds (distance) C4'-P energy: -11.082 bonds (distance) P-C4' energy: -14.915 flat angles C4'-P-C4' energy: -16.226 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -17.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -97.191098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.191098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.191098 (E_RNA) where: Base-Base interactions energy: -44.765 where: short stacking energy: -31.958 Base-Backbone interact. energy: -0.259 local terms energy: -52.167499 where: bonds (distance) C4'-P energy: -14.034 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -13.635 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -282.585670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.585670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.585670 (E_RNA) where: Base-Base interactions energy: -201.677 where: short stacking energy: -86.183 Base-Backbone interact. energy: -0.783 local terms energy: -80.125055 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -17.235 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -14.706 tors. eta vs tors. theta energy: -18.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -280.655878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.655878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.655878 (E_RNA) where: Base-Base interactions energy: -198.053 where: short stacking energy: -85.031 Base-Backbone interact. energy: -0.841 local terms energy: -81.762474 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -18.361 flat angles C4'-P-C4' energy: -18.811 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -22.267 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: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -276.597443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.597443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.597443 (E_RNA) where: Base-Base interactions energy: -195.082 where: short stacking energy: -76.403 Base-Backbone interact. energy: -0.170 local terms energy: -81.346217 where: bonds (distance) C4'-P energy: -15.851 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -16.863 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -23.149 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: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -265.906780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.906780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.906780 (E_RNA) where: Base-Base interactions energy: -188.098 where: short stacking energy: -77.061 Base-Backbone interact. energy: -0.176 local terms energy: -77.632444 where: bonds (distance) C4'-P energy: -15.025 bonds (distance) P-C4' energy: -18.802 flat angles C4'-P-C4' energy: -15.957 flat angles P-C4'-P energy: -14.575 tors. eta vs tors. theta energy: -13.274 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: 5, replica: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -272.766525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.766525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.766525 (E_RNA) where: Base-Base interactions energy: -194.535 where: short stacking energy: -79.092 Base-Backbone interact. energy: -0.481 local terms energy: -77.750459 where: bonds (distance) C4'-P energy: -17.537 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -16.454 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -18.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -263.859643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.859643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.859643 (E_RNA) where: Base-Base interactions energy: -188.103 where: short stacking energy: -78.853 Base-Backbone interact. energy: -0.092 local terms energy: -75.664949 where: bonds (distance) C4'-P energy: -15.909 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -16.217 flat angles P-C4'-P energy: -12.747 tors. eta vs tors. theta energy: -19.135 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -256.602236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.602236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.602236 (E_RNA) where: Base-Base interactions energy: -181.834 where: short stacking energy: -76.335 Base-Backbone interact. energy: -1.911 local terms energy: -72.857211 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -11.205 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -18.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -178.079763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.079763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.079763 (E_RNA) where: Base-Base interactions energy: -106.527 where: short stacking energy: -61.955 Base-Backbone interact. energy: -0.047 local terms energy: -71.505796 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -18.652 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -14.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -195.026677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.026677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.026677 (E_RNA) where: Base-Base interactions energy: -131.761 where: short stacking energy: -61.643 Base-Backbone interact. energy: -0.070 local terms energy: -63.196081 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -16.170 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -15.342 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: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -103.682449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.682449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.682449 (E_RNA) where: Base-Base interactions energy: -46.189 where: short stacking energy: -28.951 Base-Backbone interact. energy: -0.206 local terms energy: -57.288158 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -16.305 flat angles P-C4'-P energy: -13.274 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: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -286.313309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.313309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.313309 (E_RNA) where: Base-Base interactions energy: -202.076 where: short stacking energy: -83.583 Base-Backbone interact. energy: -0.068 local terms energy: -84.169300 where: bonds (distance) C4'-P energy: -15.143 bonds (distance) P-C4' energy: -20.461 flat angles C4'-P-C4' energy: -15.830 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -22.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -277.082859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.082859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.082859 (E_RNA) where: Base-Base interactions energy: -194.263 where: short stacking energy: -79.915 Base-Backbone interact. energy: -0.171 local terms energy: -82.648597 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -19.644 flat angles C4'-P-C4' energy: -16.804 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -21.972 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: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -277.581321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.581321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.581321 (E_RNA) where: Base-Base interactions energy: -197.625 where: short stacking energy: -76.338 Base-Backbone interact. energy: -1.537 local terms energy: -78.419639 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -16.945 flat angles C4'-P-C4' energy: -17.851 flat angles P-C4'-P energy: -11.908 tors. eta vs tors. theta energy: -20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -275.906213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.906213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.906213 (E_RNA) where: Base-Base interactions energy: -194.833 where: short stacking energy: -77.988 Base-Backbone interact. energy: -0.293 local terms energy: -80.780108 where: bonds (distance) C4'-P energy: -18.296 bonds (distance) P-C4' energy: -18.805 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -7.270 tors. eta vs tors. theta energy: -21.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -257.608995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.608995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.608995 (E_RNA) where: Base-Base interactions energy: -194.768 where: short stacking energy: -72.988 Base-Backbone interact. energy: -0.490 local terms energy: -62.351387 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -11.722 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -18.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -258.458268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.458268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.458268 (E_RNA) where: Base-Base interactions energy: -185.048 where: short stacking energy: -77.535 Base-Backbone interact. energy: -0.045 local terms energy: -73.365272 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -16.934 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -18.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -258.992538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.992538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.992538 (E_RNA) where: Base-Base interactions energy: -188.126 where: short stacking energy: -83.932 Base-Backbone interact. energy: -0.099 local terms energy: -70.767615 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -13.286 tors. eta vs tors. theta energy: -17.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -189.402748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.402748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.402748 (E_RNA) where: Base-Base interactions energy: -124.587 where: short stacking energy: -47.739 Base-Backbone interact. energy: -0.087 local terms energy: -64.728471 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -11.254 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: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -173.878119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.878119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.878119 (E_RNA) where: Base-Base interactions energy: -113.632 where: short stacking energy: -43.952 Base-Backbone interact. energy: -0.212 local terms energy: -60.033958 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -103.188598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.188598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.188598 (E_RNA) where: Base-Base interactions energy: -40.096 where: short stacking energy: -39.347 Base-Backbone interact. energy: -0.101 local terms energy: -62.991612 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -17.700 flat angles C4'-P-C4' energy: -16.849 flat angles P-C4'-P energy: -9.457 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: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -285.107196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.107196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.107196 (E_RNA) where: Base-Base interactions energy: -204.169 where: short stacking energy: -78.899 Base-Backbone interact. energy: -0.160 local terms energy: -80.778212 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -19.417 flat angles C4'-P-C4' energy: -18.716 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -16.061 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -280.706292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.706292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.706292 (E_RNA) where: Base-Base interactions energy: -195.399 where: short stacking energy: -81.263 Base-Backbone interact. energy: -0.644 local terms energy: -84.663276 where: bonds (distance) C4'-P energy: -17.760 bonds (distance) P-C4' energy: -17.366 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -13.433 tors. eta vs tors. theta energy: -20.679 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: 3 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -279.776664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.776664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.776664 (E_RNA) where: Base-Base interactions energy: -199.031 where: short stacking energy: -82.570 Base-Backbone interact. energy: -1.432 local terms energy: -79.313648 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -17.476 flat angles C4'-P-C4' energy: -15.985 flat angles P-C4'-P energy: -13.965 tors. eta vs tors. theta energy: -18.880 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: 4, replica: 4 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -267.677504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.677504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.677504 (E_RNA) where: Base-Base interactions energy: -192.442 where: short stacking energy: -85.438 Base-Backbone interact. energy: -0.127 local terms energy: -75.109076 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.795 flat angles C4'-P-C4' energy: -18.430 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -18.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -269.407499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.407499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.407499 (E_RNA) where: Base-Base interactions energy: -196.836 where: short stacking energy: -82.376 Base-Backbone interact. energy: -1.461 local terms energy: -71.110492 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -22.401 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: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -260.014292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.014292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.014292 (E_RNA) where: Base-Base interactions energy: -189.760 where: short stacking energy: -73.617 Base-Backbone interact. energy: -0.584 local terms energy: -69.670990 where: bonds (distance) C4'-P energy: -18.194 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -12.592 tors. eta vs tors. theta energy: -10.233 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: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -263.535741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.535741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.535741 (E_RNA) where: Base-Base interactions energy: -187.837 where: short stacking energy: -83.008 Base-Backbone interact. energy: -0.026 local terms energy: -75.673179 where: bonds (distance) C4'-P energy: -15.262 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -19.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -170.239077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.239077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.239077 (E_RNA) where: Base-Base interactions energy: -101.228 where: short stacking energy: -55.069 Base-Backbone interact. energy: -0.141 local terms energy: -68.869574 where: bonds (distance) C4'-P energy: -17.280 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -14.880 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -10.788 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -199.717781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.717781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.717781 (E_RNA) where: Base-Base interactions energy: -126.763 where: short stacking energy: -66.260 Base-Backbone interact. energy: -0.063 local terms energy: -72.891746 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -15.507 flat angles C4'-P-C4' energy: -16.815 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -95.145103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.145103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.145103 (E_RNA) where: Base-Base interactions energy: -39.718 where: short stacking energy: -39.718 Base-Backbone interact. energy: -0.334 local terms energy: -55.092377 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -17.470 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -8.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -285.886973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.886973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.886973 (E_RNA) where: Base-Base interactions energy: -205.133 where: short stacking energy: -86.930 Base-Backbone interact. energy: -0.699 local terms energy: -80.054695 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -17.341 flat angles P-C4'-P energy: -11.890 tors. eta vs tors. theta energy: -19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -286.203293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.203293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.203293 (E_RNA) where: Base-Base interactions energy: -204.590 where: short stacking energy: -79.900 Base-Backbone interact. energy: -2.245 local terms energy: -79.367741 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -18.838 flat angles P-C4'-P energy: -9.738 tors. eta vs tors. theta energy: -21.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -288.058987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.058987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.058987 (E_RNA) where: Base-Base interactions energy: -204.410 where: short stacking energy: -89.595 Base-Backbone interact. energy: -2.050 local terms energy: -81.599255 where: bonds (distance) C4'-P energy: -16.986 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -17.285 flat angles P-C4'-P energy: -14.114 tors. eta vs tors. theta energy: -17.235 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: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -277.614150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.614150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.614150 (E_RNA) where: Base-Base interactions energy: -200.846 where: short stacking energy: -86.880 Base-Backbone interact. energy: 0.292 local terms energy: -77.059702 where: bonds (distance) C4'-P energy: -14.556 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -16.047 flat angles P-C4'-P energy: -11.477 tors. eta vs tors. theta energy: -19.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -270.940976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.940976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.940976 (E_RNA) where: Base-Base interactions energy: -201.253 where: short stacking energy: -90.381 Base-Backbone interact. energy: -0.097 local terms energy: -69.591611 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -15.280 tors. eta vs tors. theta energy: -18.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -255.839521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.839521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.839521 (E_RNA) where: Base-Base interactions energy: -184.929 where: short stacking energy: -69.783 Base-Backbone interact. energy: -1.345 local terms energy: -69.565111 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -14.181 tors. eta vs tors. theta energy: -11.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -206.456089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.456089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.456089 (E_RNA) where: Base-Base interactions energy: -143.836 where: short stacking energy: -67.451 Base-Backbone interact. energy: -0.459 local terms energy: -62.161370 where: bonds (distance) C4'-P energy: -7.790 bonds (distance) P-C4' energy: -14.411 flat angles C4'-P-C4' energy: -15.474 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -189.949495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.949495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.949495 (E_RNA) where: Base-Base interactions energy: -126.469 where: short stacking energy: -45.842 Base-Backbone interact. energy: -0.421 local terms energy: -63.059634 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -19.514 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -9.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -176.423049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.423049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.423049 (E_RNA) where: Base-Base interactions energy: -124.094 where: short stacking energy: -60.310 Base-Backbone interact. energy: -0.082 local terms energy: -52.247572 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -13.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -99.172319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.172319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.172319 (E_RNA) where: Base-Base interactions energy: -45.557 where: short stacking energy: -38.968 Base-Backbone interact. energy: 1.104 local terms energy: -54.718846 where: bonds (distance) C4'-P energy: -17.714 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -15.900 flat angles P-C4'-P energy: -7.090 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: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -283.217033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.217033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.217033 (E_RNA) where: Base-Base interactions energy: -195.865 where: short stacking energy: -77.615 Base-Backbone interact. energy: -0.611 local terms energy: -86.740927 where: bonds (distance) C4'-P energy: -18.692 bonds (distance) P-C4' energy: -19.986 flat angles C4'-P-C4' energy: -17.368 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -287.122004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.122004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.122004 (E_RNA) where: Base-Base interactions energy: -202.852 where: short stacking energy: -87.255 Base-Backbone interact. energy: 0.970 local terms energy: -85.239499 where: bonds (distance) C4'-P energy: -17.279 bonds (distance) P-C4' energy: -19.010 flat angles C4'-P-C4' energy: -19.104 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -20.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -279.405500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.405500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.405500 (E_RNA) where: Base-Base interactions energy: -199.414 where: short stacking energy: -83.289 Base-Backbone interact. energy: -0.126 local terms energy: -79.865353 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -17.924 flat angles P-C4'-P energy: -10.141 tors. eta vs tors. theta energy: -21.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -274.546600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.546600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.546600 (E_RNA) where: Base-Base interactions energy: -190.163 where: short stacking energy: -88.912 Base-Backbone interact. energy: -0.105 local terms energy: -84.278689 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -17.823 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -14.541 tors. eta vs tors. theta energy: -22.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -258.541676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.541676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.541676 (E_RNA) where: Base-Base interactions energy: -187.732 where: short stacking energy: -76.956 Base-Backbone interact. energy: -0.218 local terms energy: -70.591822 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -19.260 flat angles P-C4'-P energy: -12.051 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -267.735198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.735198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.735198 (E_RNA) where: Base-Base interactions energy: -191.949 where: short stacking energy: -81.018 Base-Backbone interact. energy: -0.737 local terms energy: -75.048289 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -11.404 tors. eta vs tors. theta energy: -19.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -208.696884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.696884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.696884 (E_RNA) where: Base-Base interactions energy: -142.069 where: short stacking energy: -65.767 Base-Backbone interact. energy: -1.005 local terms energy: -65.622919 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -12.017 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: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -198.163249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.163249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.163249 (E_RNA) where: Base-Base interactions energy: -131.437 where: short stacking energy: -64.737 Base-Backbone interact. energy: -0.395 local terms energy: -66.330699 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -16.663 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: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -195.239049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.239049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.239049 (E_RNA) where: Base-Base interactions energy: -146.883 where: short stacking energy: -64.992 Base-Backbone interact. energy: -0.230 local terms energy: -48.125443 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -16.513 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: 0.637 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: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -106.976225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.976225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.976225 (E_RNA) where: Base-Base interactions energy: -60.523 where: short stacking energy: -41.345 Base-Backbone interact. energy: -0.112 local terms energy: -46.340710 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -10.408 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -286.876231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.876231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.876231 (E_RNA) where: Base-Base interactions energy: -204.763 where: short stacking energy: -85.853 Base-Backbone interact. energy: 0.240 local terms energy: -82.353658 where: bonds (distance) C4'-P energy: -14.635 bonds (distance) P-C4' energy: -17.610 flat angles C4'-P-C4' energy: -19.715 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -18.235 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: 169 Temperature: 0.950000 Total energy: -282.217155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.217155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.217155 (E_RNA) where: Base-Base interactions energy: -197.130 where: short stacking energy: -84.687 Base-Backbone interact. energy: -0.602 local terms energy: -84.485692 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -18.820 flat angles C4'-P-C4' energy: -19.325 flat angles P-C4'-P energy: -12.202 tors. eta vs tors. theta energy: -23.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -281.761523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.761523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.761523 (E_RNA) where: Base-Base interactions energy: -197.605 where: short stacking energy: -84.181 Base-Backbone interact. energy: -1.141 local terms energy: -83.015520 where: bonds (distance) C4'-P energy: -16.154 bonds (distance) P-C4' energy: -18.210 flat angles C4'-P-C4' energy: -18.350 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -264.842138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.842138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.842138 (E_RNA) where: Base-Base interactions energy: -193.867 where: short stacking energy: -71.011 Base-Backbone interact. energy: -1.204 local terms energy: -69.771323 where: bonds (distance) C4'-P energy: -14.694 bonds (distance) P-C4' energy: -16.829 flat angles C4'-P-C4' energy: -18.067 flat angles P-C4'-P energy: -12.726 tors. eta vs tors. theta energy: -7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -276.299406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.299406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.299406 (E_RNA) where: Base-Base interactions energy: -192.135 where: short stacking energy: -72.761 Base-Backbone interact. energy: -0.286 local terms energy: -83.878381 where: bonds (distance) C4'-P energy: -18.113 bonds (distance) P-C4' energy: -16.314 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -13.490 tors. eta vs tors. theta energy: -20.036 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: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -257.795817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.795817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.795817 (E_RNA) where: Base-Base interactions energy: -186.041 where: short stacking energy: -71.790 Base-Backbone interact. energy: -1.477 local terms energy: -70.277938 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -214.418864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.418864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.418864 (E_RNA) where: Base-Base interactions energy: -135.721 where: short stacking energy: -75.291 Base-Backbone interact. energy: 0.090 local terms energy: -78.788637 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -16.378 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -21.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -207.602020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.602020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.602020 (E_RNA) where: Base-Base interactions energy: -145.394 where: short stacking energy: -70.543 Base-Backbone interact. energy: -0.001 local terms energy: -62.207313 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -16.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -156.828573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.828573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.828573 (E_RNA) where: Base-Base interactions energy: -103.094 where: short stacking energy: -51.880 Base-Backbone interact. energy: -0.200 local terms energy: -53.535160 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -102.453267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.453267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.453267 (E_RNA) where: Base-Base interactions energy: -47.398 where: short stacking energy: -47.240 Base-Backbone interact. energy: -0.105 local terms energy: -54.950907 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -10.505 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -9.143 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: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -285.656520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.656520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.656520 (E_RNA) where: Base-Base interactions energy: -203.893 where: short stacking energy: -81.955 Base-Backbone interact. energy: -0.163 local terms energy: -81.600641 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -18.870 flat angles C4'-P-C4' energy: -19.668 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -21.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -284.651249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.651249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.651249 (E_RNA) where: Base-Base interactions energy: -199.152 where: short stacking energy: -79.187 Base-Backbone interact. energy: -0.673 local terms energy: -84.826254 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -18.479 flat angles C4'-P-C4' energy: -18.125 flat angles P-C4'-P energy: -13.016 tors. eta vs tors. theta energy: -21.619 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -270.667116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.667116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.667116 (E_RNA) where: Base-Base interactions energy: -195.184 where: short stacking energy: -84.383 Base-Backbone interact. energy: -1.632 local terms energy: -73.851386 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -17.038 flat angles C4'-P-C4' energy: -18.821 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -13.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -260.481984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.481984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.481984 (E_RNA) where: Base-Base interactions energy: -180.938 where: short stacking energy: -79.974 Base-Backbone interact. energy: -0.001 local terms energy: -79.542592 where: bonds (distance) C4'-P energy: -17.253 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -18.591 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -16.589 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: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -268.265570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.265570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.265570 (E_RNA) where: Base-Base interactions energy: -199.344 where: short stacking energy: -82.541 Base-Backbone interact. energy: -1.344 local terms energy: -67.577578 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -15.275 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -18.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -257.585525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.585525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.585525 (E_RNA) where: Base-Base interactions energy: -190.162 where: short stacking energy: -73.867 Base-Backbone interact. energy: -0.556 local terms energy: -66.867732 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -13.984 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: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -203.113950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.113950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.113950 (E_RNA) where: Base-Base interactions energy: -134.008 where: short stacking energy: -62.440 Base-Backbone interact. energy: -0.030 local terms energy: -69.075790 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -18.515 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -11.207 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: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -203.445266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.445266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.445266 (E_RNA) where: Base-Base interactions energy: -132.161 where: short stacking energy: -72.475 Base-Backbone interact. energy: -0.001 local terms energy: -71.283127 where: bonds (distance) C4'-P energy: -15.478 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -181.416279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.416279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.416279 (E_RNA) where: Base-Base interactions energy: -115.357 where: short stacking energy: -56.457 Base-Backbone interact. energy: -0.166 local terms energy: -65.893196 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -17.679 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -10.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -100.550530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.550530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.550530 (E_RNA) where: Base-Base interactions energy: -57.972 where: short stacking energy: -45.995 Base-Backbone interact. energy: -0.410 local terms energy: -42.168292 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -4.501 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: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -289.253793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.253793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.253793 (E_RNA) where: Base-Base interactions energy: -206.052 where: short stacking energy: -82.147 Base-Backbone interact. energy: -0.164 local terms energy: -83.038506 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -19.249 flat angles C4'-P-C4' energy: -16.642 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -22.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -283.400717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.400717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.400717 (E_RNA) where: Base-Base interactions energy: -196.119 where: short stacking energy: -83.220 Base-Backbone interact. energy: -0.509 local terms energy: -86.771884 where: bonds (distance) C4'-P energy: -18.116 bonds (distance) P-C4' energy: -18.192 flat angles C4'-P-C4' energy: -18.845 flat angles P-C4'-P energy: -12.361 tors. eta vs tors. theta energy: -19.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -275.550291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.550291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.550291 (E_RNA) where: Base-Base interactions energy: -194.086 where: short stacking energy: -75.506 Base-Backbone interact. energy: -0.180 local terms energy: -81.284161 where: bonds (distance) C4'-P energy: -17.677 bonds (distance) P-C4' energy: -18.252 flat angles C4'-P-C4' energy: -17.803 flat angles P-C4'-P energy: -12.372 tors. eta vs tors. theta energy: -15.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -279.224789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.224789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.224789 (E_RNA) where: Base-Base interactions energy: -192.591 where: short stacking energy: -80.676 Base-Backbone interact. energy: -0.502 local terms energy: -86.132167 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -18.812 flat angles C4'-P-C4' energy: -17.969 flat angles P-C4'-P energy: -13.490 tors. eta vs tors. theta energy: -21.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -269.197577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.197577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.197577 (E_RNA) where: Base-Base interactions energy: -184.851 where: short stacking energy: -74.869 Base-Backbone interact. energy: 0.002 local terms energy: -84.349085 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -19.764 flat angles C4'-P-C4' energy: -17.295 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -22.817 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: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -265.570148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.570148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.570148 (E_RNA) where: Base-Base interactions energy: -185.677 where: short stacking energy: -76.793 Base-Backbone interact. energy: -1.628 local terms energy: -78.265693 where: bonds (distance) C4'-P energy: -17.005 bonds (distance) P-C4' energy: -17.625 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -19.851 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: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -205.939420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.939420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.939420 (E_RNA) where: Base-Base interactions energy: -132.069 where: short stacking energy: -62.694 Base-Backbone interact. energy: -0.180 local terms energy: -73.690847 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -14.432 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -18.226 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: 9 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -192.039417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.039417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.039417 (E_RNA) where: Base-Base interactions energy: -129.697 where: short stacking energy: -58.480 Base-Backbone interact. energy: 0.332 local terms energy: -62.674676 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -16.244 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -8.898 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: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -187.209492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.209492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.209492 (E_RNA) where: Base-Base interactions energy: -127.019 where: short stacking energy: -65.677 Base-Backbone interact. energy: -0.168 local terms energy: -60.022416 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -13.463 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -3.518 tors. eta vs tors. theta energy: -15.262 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: 2 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -105.725380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.725380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.725380 (E_RNA) where: Base-Base interactions energy: -44.967 where: short stacking energy: -44.967 Base-Backbone interact. energy: -0.049 local terms energy: -60.708766 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -12.244 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -287.999640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.999640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.999640 (E_RNA) where: Base-Base interactions energy: -203.011 where: short stacking energy: -86.862 Base-Backbone interact. energy: -0.688 local terms energy: -84.300906 where: bonds (distance) C4'-P energy: -19.138 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -18.448 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -19.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -281.439605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.439605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.439605 (E_RNA) where: Base-Base interactions energy: -196.762 where: short stacking energy: -86.296 Base-Backbone interact. energy: -0.143 local terms energy: -84.535080 where: bonds (distance) C4'-P energy: -17.235 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -18.138 flat angles P-C4'-P energy: -8.909 tors. eta vs tors. theta energy: -23.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -272.545813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.545813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.545813 (E_RNA) where: Base-Base interactions energy: -200.200 where: short stacking energy: -84.022 Base-Backbone interact. energy: -0.104 local terms energy: -72.241428 where: bonds (distance) C4'-P energy: -15.536 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -16.842 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -19.840 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: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -264.648365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.648365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.648365 (E_RNA) where: Base-Base interactions energy: -189.782 where: short stacking energy: -75.032 Base-Backbone interact. energy: -0.239 local terms energy: -74.627267 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -17.799 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -16.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -267.644599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.644599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.644599 (E_RNA) where: Base-Base interactions energy: -191.402 where: short stacking energy: -79.150 Base-Backbone interact. energy: -1.157 local terms energy: -75.086314 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -16.981 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -19.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -257.870750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.870750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.870750 (E_RNA) where: Base-Base interactions energy: -186.931 where: short stacking energy: -70.740 Base-Backbone interact. energy: 0.126 local terms energy: -71.065185 where: bonds (distance) C4'-P energy: -16.082 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -17.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -204.501156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.501156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.501156 (E_RNA) where: Base-Base interactions energy: -136.694 where: short stacking energy: -66.409 Base-Backbone interact. energy: -1.364 local terms energy: -66.443483 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -15.686 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -14.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -198.630862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.630862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.630862 (E_RNA) where: Base-Base interactions energy: -143.586 where: short stacking energy: -73.993 Base-Backbone interact. energy: -0.163 local terms energy: -54.881735 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -10.539 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -13.287 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: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -193.970140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.970140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.970140 (E_RNA) where: Base-Base interactions energy: -127.798 where: short stacking energy: -59.979 Base-Backbone interact. energy: -0.299 local terms energy: -65.873431 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -16.430 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -7.250 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: 172 Temperature: 1.350000 Total energy: -96.992580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.992580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.992580 (E_RNA) where: Base-Base interactions energy: -52.192 where: short stacking energy: -37.975 Base-Backbone interact. energy: -0.183 local terms energy: -44.617917 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -288.017383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.017383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.017383 (E_RNA) where: Base-Base interactions energy: -204.288 where: short stacking energy: -90.254 Base-Backbone interact. energy: -1.472 local terms energy: -82.257471 where: bonds (distance) C4'-P energy: -15.618 bonds (distance) P-C4' energy: -17.437 flat angles C4'-P-C4' energy: -17.313 flat angles P-C4'-P energy: -14.081 tors. eta vs tors. theta energy: -17.809 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: 173 Temperature: 0.950000 Total energy: -279.737819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.737819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.737819 (E_RNA) where: Base-Base interactions energy: -195.843 where: short stacking energy: -80.822 Base-Backbone interact. energy: -0.516 local terms energy: -83.378811 where: bonds (distance) C4'-P energy: -17.388 bonds (distance) P-C4' energy: -16.673 flat angles C4'-P-C4' energy: -16.167 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -20.887 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: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -274.360843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.360843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.360843 (E_RNA) where: Base-Base interactions energy: -190.382 where: short stacking energy: -74.704 Base-Backbone interact. energy: -0.660 local terms energy: -83.318722 where: bonds (distance) C4'-P energy: -15.301 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -17.038 flat angles P-C4'-P energy: -15.874 tors. eta vs tors. theta energy: -19.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -284.023062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.023062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.023062 (E_RNA) where: Base-Base interactions energy: -203.490 where: short stacking energy: -89.507 Base-Backbone interact. energy: -0.093 local terms energy: -80.440146 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -17.772 flat angles C4'-P-C4' energy: -17.124 flat angles P-C4'-P energy: -13.685 tors. eta vs tors. theta energy: -18.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -246.611767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.611767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.611767 (E_RNA) where: Base-Base interactions energy: -182.840 where: short stacking energy: -70.674 Base-Backbone interact. energy: 2.274 local terms energy: -66.045118 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -11.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -267.538549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.538549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.538549 (E_RNA) where: Base-Base interactions energy: -188.981 where: short stacking energy: -82.705 Base-Backbone interact. energy: -0.057 local terms energy: -78.500481 where: bonds (distance) C4'-P energy: -17.689 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -17.446 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -17.815 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: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -203.371061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.371061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.371061 (E_RNA) where: Base-Base interactions energy: -141.550 where: short stacking energy: -67.691 Base-Backbone interact. energy: -0.014 local terms energy: -61.807312 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -16.191 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -205.564072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.564072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.564072 (E_RNA) where: Base-Base interactions energy: -135.305 where: short stacking energy: -69.812 Base-Backbone interact. energy: -0.101 local terms energy: -70.158246 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -15.841 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -18.053 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: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -201.452058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.452058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.452058 (E_RNA) where: Base-Base interactions energy: -133.869 where: short stacking energy: -62.065 Base-Backbone interact. energy: -1.557 local terms energy: -66.026051 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -10.524 tors. eta vs tors. theta energy: -11.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -105.231831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.231831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.231831 (E_RNA) where: Base-Base interactions energy: -51.982 where: short stacking energy: -31.191 Base-Backbone interact. energy: -0.241 local terms energy: -53.008681 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -17.704 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -9.358 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: 1, replica: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -282.736397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.736397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.736397 (E_RNA) where: Base-Base interactions energy: -201.419 where: short stacking energy: -79.686 Base-Backbone interact. energy: -1.212 local terms energy: -80.105459 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -17.719 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -22.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -277.786209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.786209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.786209 (E_RNA) where: Base-Base interactions energy: -195.200 where: short stacking energy: -83.632 Base-Backbone interact. energy: -0.096 local terms energy: -82.490270 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -15.422 flat angles C4'-P-C4' energy: -19.186 flat angles P-C4'-P energy: -12.667 tors. eta vs tors. theta energy: -20.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -280.243104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.243104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.243104 (E_RNA) where: Base-Base interactions energy: -206.867 where: short stacking energy: -85.965 Base-Backbone interact. energy: -0.206 local terms energy: -73.170971 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -16.172 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -17.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -276.042122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.042122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.042122 (E_RNA) where: Base-Base interactions energy: -196.033 where: short stacking energy: -81.252 Base-Backbone interact. energy: -0.195 local terms energy: -79.813699 where: bonds (distance) C4'-P energy: -16.221 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -18.026 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -18.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -257.726497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.726497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.726497 (E_RNA) where: Base-Base interactions energy: -183.214 where: short stacking energy: -68.057 Base-Backbone interact. energy: -1.331 local terms energy: -73.181143 where: bonds (distance) C4'-P energy: -17.271 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -12.978 tors. eta vs tors. theta energy: -14.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -262.656899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.656899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.656899 (E_RNA) where: Base-Base interactions energy: -189.544 where: short stacking energy: -85.228 Base-Backbone interact. energy: -0.086 local terms energy: -73.026946 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -18.701 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: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -211.154124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.154124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.154124 (E_RNA) where: Base-Base interactions energy: -141.697 where: short stacking energy: -73.655 Base-Backbone interact. energy: 0.244 local terms energy: -69.701380 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -10.959 flat angles C4'-P-C4' energy: -15.667 flat angles P-C4'-P energy: -10.582 tors. eta vs tors. theta energy: -16.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -204.506485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.506485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.506485 (E_RNA) where: Base-Base interactions energy: -132.893 where: short stacking energy: -68.549 Base-Backbone interact. energy: 1.191 local terms energy: -72.804756 where: bonds (distance) C4'-P energy: -18.621 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -16.880 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -15.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -187.983694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.983694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.983694 (E_RNA) where: Base-Base interactions energy: -125.360 where: short stacking energy: -54.188 Base-Backbone interact. energy: 0.104 local terms energy: -62.727360 where: bonds (distance) C4'-P energy: -17.420 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -7.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -95.271709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.271709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.271709 (E_RNA) where: Base-Base interactions energy: -42.839 where: short stacking energy: -42.839 Base-Backbone interact. energy: -0.096 local terms energy: -52.336410 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -18.556 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.505 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: 1, replica: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -283.256916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.256916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.256916 (E_RNA) where: Base-Base interactions energy: -201.894 where: short stacking energy: -83.748 Base-Backbone interact. energy: -0.084 local terms energy: -81.278896 where: bonds (distance) C4'-P energy: -16.720 bonds (distance) P-C4' energy: -15.182 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -14.775 tors. eta vs tors. theta energy: -19.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -280.368420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.368420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.368420 (E_RNA) where: Base-Base interactions energy: -196.402 where: short stacking energy: -84.935 Base-Backbone interact. energy: -0.586 local terms energy: -83.380308 where: bonds (distance) C4'-P energy: -16.302 bonds (distance) P-C4' energy: -17.411 flat angles C4'-P-C4' energy: -17.283 flat angles P-C4'-P energy: -12.842 tors. eta vs tors. theta energy: -19.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -277.406542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.406542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.406542 (E_RNA) where: Base-Base interactions energy: -202.783 where: short stacking energy: -86.188 Base-Backbone interact. energy: -0.776 local terms energy: -73.847747 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -9.978 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -267.520306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.520306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.520306 (E_RNA) where: Base-Base interactions energy: -199.627 where: short stacking energy: -79.903 Base-Backbone interact. energy: -0.499 local terms energy: -67.395085 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -7.416 flat angles C4'-P-C4' energy: -15.789 flat angles P-C4'-P energy: -12.000 tors. eta vs tors. theta energy: -17.039 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: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -269.169142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.169142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.169142 (E_RNA) where: Base-Base interactions energy: -193.063 where: short stacking energy: -82.336 Base-Backbone interact. energy: 0.533 local terms energy: -76.639150 where: bonds (distance) C4'-P energy: -16.612 bonds (distance) P-C4' energy: -16.093 flat angles C4'-P-C4' energy: -16.264 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -17.217 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: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -256.872845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.872845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.872845 (E_RNA) where: Base-Base interactions energy: -191.582 where: short stacking energy: -83.150 Base-Backbone interact. energy: -0.099 local terms energy: -65.191542 where: bonds (distance) C4'-P energy: -9.360 bonds (distance) P-C4' energy: -8.537 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -22.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -202.010329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.010329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.010329 (E_RNA) where: Base-Base interactions energy: -136.390 where: short stacking energy: -70.467 Base-Backbone interact. energy: -0.064 local terms energy: -65.556462 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -16.761 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -193.941440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.941440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.941440 (E_RNA) where: Base-Base interactions energy: -135.511 where: short stacking energy: -66.893 Base-Backbone interact. energy: -0.211 local terms energy: -58.219218 where: bonds (distance) C4'-P energy: -15.242 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -10.805 flat angles P-C4'-P energy: -7.848 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: 9, replica: 7 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -201.557722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.557722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.557722 (E_RNA) where: Base-Base interactions energy: -133.994 where: short stacking energy: -54.615 Base-Backbone interact. energy: -0.119 local terms energy: -67.444942 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -12.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -101.520732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.520732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.520732 (E_RNA) where: Base-Base interactions energy: -48.654 where: short stacking energy: -38.612 Base-Backbone interact. energy: 2.710 local terms energy: -55.577232 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -6.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -284.514595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.514595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.514595 (E_RNA) where: Base-Base interactions energy: -199.721 where: short stacking energy: -82.143 Base-Backbone interact. energy: -1.318 local terms energy: -83.474867 where: bonds (distance) C4'-P energy: -16.245 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -18.625 flat angles P-C4'-P energy: -13.350 tors. eta vs tors. theta energy: -17.757 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: 176 Temperature: 0.950000 Total energy: -281.490247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.490247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.490247 (E_RNA) where: Base-Base interactions energy: -199.477 where: short stacking energy: -80.411 Base-Backbone interact. energy: -0.670 local terms energy: -81.343512 where: bonds (distance) C4'-P energy: -18.446 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -17.975 flat angles P-C4'-P energy: -13.337 tors. eta vs tors. theta energy: -18.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -261.586072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.586072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.586072 (E_RNA) where: Base-Base interactions energy: -188.901 where: short stacking energy: -72.207 Base-Backbone interact. energy: -1.771 local terms energy: -70.913438 where: bonds (distance) C4'-P energy: -16.555 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -12.443 tors. eta vs tors. theta energy: -12.939 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: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -270.569410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.569410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.569410 (E_RNA) where: Base-Base interactions energy: -193.048 where: short stacking energy: -79.522 Base-Backbone interact. energy: -0.122 local terms energy: -77.399014 where: bonds (distance) C4'-P energy: -18.389 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -16.994 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -16.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -268.011545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.011545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.011545 (E_RNA) where: Base-Base interactions energy: -189.799 where: short stacking energy: -81.886 Base-Backbone interact. energy: -0.583 local terms energy: -77.629433 where: bonds (distance) C4'-P energy: -16.307 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -19.378 flat angles P-C4'-P energy: -12.181 tors. eta vs tors. theta energy: -17.654 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: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -255.971159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.971159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.971159 (E_RNA) where: Base-Base interactions energy: -189.518 where: short stacking energy: -78.226 Base-Backbone interact. energy: -0.228 local terms energy: -66.225341 where: bonds (distance) C4'-P energy: -16.320 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -15.872 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -14.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -213.981327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.981327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.981327 (E_RNA) where: Base-Base interactions energy: -141.974 where: short stacking energy: -70.350 Base-Backbone interact. energy: -0.023 local terms energy: -71.984099 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -20.503 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: 176 Temperature: 1.250000 Total energy: -198.639822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.639822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.639822 (E_RNA) where: Base-Base interactions energy: -127.567 where: short stacking energy: -60.694 Base-Backbone interact. energy: 1.871 local terms energy: -72.944372 where: bonds (distance) C4'-P energy: -15.266 bonds (distance) P-C4' energy: -17.819 flat angles C4'-P-C4' energy: -17.008 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -13.013 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: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -190.374834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.374834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.374834 (E_RNA) where: Base-Base interactions energy: -128.561 where: short stacking energy: -57.406 Base-Backbone interact. energy: -0.150 local terms energy: -61.663986 where: bonds (distance) C4'-P energy: -9.078 bonds (distance) P-C4' energy: -10.608 flat angles C4'-P-C4' energy: -17.452 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -112.941061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.941061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.941061 (E_RNA) where: Base-Base interactions energy: -73.456 where: short stacking energy: -30.846 Base-Backbone interact. energy: -0.349 local terms energy: -39.136250 where: bonds (distance) C4'-P energy: -12.080 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: 0.527 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -289.481995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.481995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.481995 (E_RNA) where: Base-Base interactions energy: -204.309 where: short stacking energy: -82.351 Base-Backbone interact. energy: -0.980 local terms energy: -84.193533 where: bonds (distance) C4'-P energy: -17.875 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -17.576 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -20.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -276.576583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.576583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.576583 (E_RNA) where: Base-Base interactions energy: -198.624 where: short stacking energy: -76.735 Base-Backbone interact. energy: -0.689 local terms energy: -77.263007 where: bonds (distance) C4'-P energy: -15.470 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -16.813 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -19.608 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: 177 Temperature: 1.000000 Total energy: -262.907894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.907894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.907894 (E_RNA) where: Base-Base interactions energy: -189.133 where: short stacking energy: -75.849 Base-Backbone interact. energy: -0.181 local terms energy: -73.593440 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -16.087 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -14.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -278.728981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.728981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.728981 (E_RNA) where: Base-Base interactions energy: -197.554 where: short stacking energy: -81.584 Base-Backbone interact. energy: -0.805 local terms energy: -80.369832 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -17.624 flat angles C4'-P-C4' energy: -18.917 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -20.004 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: 177 Temperature: 1.100000 Total energy: -265.394550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.394550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.394550 (E_RNA) where: Base-Base interactions energy: -192.286 where: short stacking energy: -77.481 Base-Backbone interact. energy: -0.801 local terms energy: -72.307864 where: bonds (distance) C4'-P energy: -14.457 bonds (distance) P-C4' energy: -17.102 flat angles C4'-P-C4' energy: -16.795 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -16.763 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -214.276217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.276217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.276217 (E_RNA) where: Base-Base interactions energy: -143.045 where: short stacking energy: -67.880 Base-Backbone interact. energy: 0.174 local terms energy: -71.404569 where: bonds (distance) C4'-P energy: -14.335 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -15.330 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -15.560 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: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -258.525178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.525178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.525178 (E_RNA) where: Base-Base interactions energy: -192.352 where: short stacking energy: -77.651 Base-Backbone interact. energy: -0.098 local terms energy: -66.074843 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -10.384 tors. eta vs tors. theta energy: -15.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -188.846236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.846236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.846236 (E_RNA) where: Base-Base interactions energy: -135.348 where: short stacking energy: -73.008 Base-Backbone interact. energy: -0.089 local terms energy: -53.409453 where: bonds (distance) C4'-P energy: -2.008 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -15.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -200.679538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.679538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.679538 (E_RNA) where: Base-Base interactions energy: -127.062 where: short stacking energy: -54.568 Base-Backbone interact. energy: -0.220 local terms energy: -73.398188 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -15.013 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -13.951 tors. eta vs tors. theta energy: -14.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -167.986331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.986331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.986331 (E_RNA) where: Base-Base interactions energy: -113.437 where: short stacking energy: -50.914 Base-Backbone interact. energy: -0.232 local terms energy: -54.317571 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -11.511 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -9.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -284.611817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.611817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.611817 (E_RNA) where: Base-Base interactions energy: -202.673 where: short stacking energy: -86.587 Base-Backbone interact. energy: -0.157 local terms energy: -81.782263 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -15.693 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -13.549 tors. eta vs tors. theta energy: -20.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -285.534130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.534130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.534130 (E_RNA) where: Base-Base interactions energy: -201.908 where: short stacking energy: -86.500 Base-Backbone interact. energy: -0.493 local terms energy: -83.132639 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -16.864 flat angles C4'-P-C4' energy: -18.391 flat angles P-C4'-P energy: -13.521 tors. eta vs tors. theta energy: -18.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -277.362455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.362455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.362455 (E_RNA) where: Base-Base interactions energy: -198.623 where: short stacking energy: -85.385 Base-Backbone interact. energy: -0.145 local terms energy: -78.595215 where: bonds (distance) C4'-P energy: -15.437 bonds (distance) P-C4' energy: -14.115 flat angles C4'-P-C4' energy: -19.799 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -20.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -263.001178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.001178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.001178 (E_RNA) where: Base-Base interactions energy: -191.669 where: short stacking energy: -74.822 Base-Backbone interact. energy: -0.196 local terms energy: -71.136071 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -10.543 tors. eta vs tors. theta energy: -17.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -270.166252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.166252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.166252 (E_RNA) where: Base-Base interactions energy: -199.637 where: short stacking energy: -80.613 Base-Backbone interact. energy: -0.229 local terms energy: -70.300623 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -15.941 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -13.105 tors. eta vs tors. theta energy: -13.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -201.415312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.415312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.415312 (E_RNA) where: Base-Base interactions energy: -137.778 where: short stacking energy: -69.859 Base-Backbone interact. energy: -0.010 local terms energy: -63.626664 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -11.211 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -20.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -266.287857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.287857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.287857 (E_RNA) where: Base-Base interactions energy: -189.196 where: short stacking energy: -76.668 Base-Backbone interact. energy: -0.419 local terms energy: -76.672808 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -15.578 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -19.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -202.466837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.466837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.466837 (E_RNA) where: Base-Base interactions energy: -130.542 where: short stacking energy: -64.977 Base-Backbone interact. energy: -0.539 local terms energy: -71.385753 where: bonds (distance) C4'-P energy: -15.399 bonds (distance) P-C4' energy: -18.937 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -13.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -202.073186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.073186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.073186 (E_RNA) where: Base-Base interactions energy: -140.360 where: short stacking energy: -74.558 Base-Backbone interact. energy: -0.002 local terms energy: -61.710895 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -10.456 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -16.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -156.082387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.082387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.082387 (E_RNA) where: Base-Base interactions energy: -102.523 where: short stacking energy: -50.951 Base-Backbone interact. energy: -0.352 local terms energy: -53.207300 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -12.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -281.857186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.857186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.857186 (E_RNA) where: Base-Base interactions energy: -198.061 where: short stacking energy: -86.289 Base-Backbone interact. energy: -0.213 local terms energy: -83.583570 where: bonds (distance) C4'-P energy: -17.686 bonds (distance) P-C4' energy: -18.283 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -13.973 tors. eta vs tors. theta energy: -19.885 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: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -282.587895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.587895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.587895 (E_RNA) where: Base-Base interactions energy: -198.456 where: short stacking energy: -85.755 Base-Backbone interact. energy: 0.870 local terms energy: -85.001962 where: bonds (distance) C4'-P energy: -16.874 bonds (distance) P-C4' energy: -15.602 flat angles C4'-P-C4' energy: -19.687 flat angles P-C4'-P energy: -12.313 tors. eta vs tors. theta energy: -20.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -276.181897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.181897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.181897 (E_RNA) where: Base-Base interactions energy: -198.226 where: short stacking energy: -79.696 Base-Backbone interact. energy: -1.234 local terms energy: -76.721711 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -15.239 flat angles C4'-P-C4' energy: -19.309 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -20.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -268.783021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.783021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.783021 (E_RNA) where: Base-Base interactions energy: -194.358 where: short stacking energy: -73.679 Base-Backbone interact. energy: -1.308 local terms energy: -73.116294 where: bonds (distance) C4'-P energy: -13.636 bonds (distance) P-C4' energy: -19.317 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -11.177 tors. eta vs tors. theta energy: -12.225 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: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -265.724109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.724109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.724109 (E_RNA) where: Base-Base interactions energy: -191.953 where: short stacking energy: -76.947 Base-Backbone interact. energy: -0.181 local terms energy: -73.589859 where: bonds (distance) C4'-P energy: -18.133 bonds (distance) P-C4' energy: -18.578 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -10.579 tors. eta vs tors. theta energy: -12.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -258.303159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.303159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.303159 (E_RNA) where: Base-Base interactions energy: -193.028 where: short stacking energy: -71.825 Base-Backbone interact. energy: -0.272 local terms energy: -65.003221 where: bonds (distance) C4'-P energy: -17.710 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -16.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -202.230657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.230657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.230657 (E_RNA) where: Base-Base interactions energy: -137.943 where: short stacking energy: -72.274 Base-Backbone interact. energy: -0.583 local terms energy: -63.704353 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -16.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -209.530899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.530899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.530899 (E_RNA) where: Base-Base interactions energy: -137.668 where: short stacking energy: -67.063 Base-Backbone interact. energy: -0.017 local terms energy: -71.845931 where: bonds (distance) C4'-P energy: -16.563 bonds (distance) P-C4' energy: -16.358 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -14.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -200.839930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.839930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.839930 (E_RNA) where: Base-Base interactions energy: -134.863 where: short stacking energy: -66.700 Base-Backbone interact. energy: -0.055 local terms energy: -65.921985 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -15.013 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -17.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -163.709087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.709087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.709087 (E_RNA) where: Base-Base interactions energy: -108.475 where: short stacking energy: -40.416 Base-Backbone interact. energy: -0.248 local terms energy: -54.985837 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -19.127 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -7.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -284.402676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.402676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.402676 (E_RNA) where: Base-Base interactions energy: -203.927 where: short stacking energy: -84.546 Base-Backbone interact. energy: 1.631 local terms energy: -82.106538 where: bonds (distance) C4'-P energy: -17.015 bonds (distance) P-C4' energy: -17.293 flat angles C4'-P-C4' energy: -18.871 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -20.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -277.923574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.923574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.923574 (E_RNA) where: Base-Base interactions energy: -196.437 where: short stacking energy: -81.436 Base-Backbone interact. energy: -0.095 local terms energy: -81.390864 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -19.084 flat angles C4'-P-C4' energy: -17.554 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -20.728 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: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -279.294596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.294596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.294596 (E_RNA) where: Base-Base interactions energy: -199.211 where: short stacking energy: -84.513 Base-Backbone interact. energy: -1.714 local terms energy: -78.369874 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -21.405 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: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -276.909853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.909853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.909853 (E_RNA) where: Base-Base interactions energy: -194.067 where: short stacking energy: -81.371 Base-Backbone interact. energy: -0.186 local terms energy: -82.656696 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -18.023 flat angles C4'-P-C4' energy: -18.955 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -19.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -271.460065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.460065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.460065 (E_RNA) where: Base-Base interactions energy: -193.858 where: short stacking energy: -76.009 Base-Backbone interact. energy: -0.649 local terms energy: -76.953312 where: bonds (distance) C4'-P energy: -15.076 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -18.309 flat angles P-C4'-P energy: -10.086 tors. eta vs tors. theta energy: -16.521 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: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -253.252562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.252562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.252562 (E_RNA) where: Base-Base interactions energy: -182.211 where: short stacking energy: -68.678 Base-Backbone interact. energy: -0.884 local terms energy: -70.157480 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -17.412 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -9.818 tors. eta vs tors. theta energy: -13.683 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: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -208.575258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.575258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.575258 (E_RNA) where: Base-Base interactions energy: -143.334 where: short stacking energy: -65.201 Base-Backbone interact. energy: -1.354 local terms energy: -63.887634 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -10.860 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -204.343624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.343624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.343624 (E_RNA) where: Base-Base interactions energy: -138.786 where: short stacking energy: -58.174 Base-Backbone interact. energy: -0.216 local terms energy: -65.341241 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -14.662 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -8.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -200.955296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.955296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.955296 (E_RNA) where: Base-Base interactions energy: -137.369 where: short stacking energy: -58.905 Base-Backbone interact. energy: -0.110 local terms energy: -63.476746 where: bonds (distance) C4'-P energy: -16.761 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -10.855 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -10.657 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: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -191.813471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.813471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.813471 (E_RNA) where: Base-Base interactions energy: -123.313 where: short stacking energy: -66.312 Base-Backbone interact. energy: -0.197 local terms energy: -68.303869 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -16.489 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -14.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -289.305591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.305591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.305591 (E_RNA) where: Base-Base interactions energy: -208.095 where: short stacking energy: -86.831 Base-Backbone interact. energy: -0.951 local terms energy: -80.259283 where: bonds (distance) C4'-P energy: -9.156 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -18.760 flat angles P-C4'-P energy: -14.814 tors. eta vs tors. theta energy: -19.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -279.449147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.449147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.449147 (E_RNA) where: Base-Base interactions energy: -194.859 where: short stacking energy: -78.594 Base-Backbone interact. energy: -1.718 local terms energy: -82.871957 where: bonds (distance) C4'-P energy: -17.132 bonds (distance) P-C4' energy: -12.727 flat angles C4'-P-C4' energy: -17.479 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -22.475 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: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -283.650396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.650396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.650396 (E_RNA) where: Base-Base interactions energy: -202.714 where: short stacking energy: -80.821 Base-Backbone interact. energy: -0.150 local terms energy: -80.786253 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -16.954 flat angles C4'-P-C4' energy: -17.714 flat angles P-C4'-P energy: -11.616 tors. eta vs tors. theta energy: -21.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -272.450582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.450582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.450582 (E_RNA) where: Base-Base interactions energy: -196.360 where: short stacking energy: -75.921 Base-Backbone interact. energy: -1.474 local terms energy: -74.616194 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -13.369 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -13.001 tors. eta vs tors. theta energy: -19.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -277.096666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.096666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.096666 (E_RNA) where: Base-Base interactions energy: -190.413 where: short stacking energy: -92.719 Base-Backbone interact. energy: -0.024 local terms energy: -86.660119 where: bonds (distance) C4'-P energy: -17.499 bonds (distance) P-C4' energy: -17.002 flat angles C4'-P-C4' energy: -18.248 flat angles P-C4'-P energy: -11.755 tors. eta vs tors. theta energy: -22.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -256.693893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.693893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.693893 (E_RNA) where: Base-Base interactions energy: -183.746 where: short stacking energy: -67.681 Base-Backbone interact. energy: -0.138 local terms energy: -72.809383 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -17.199 flat angles C4'-P-C4' energy: -16.099 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -13.812 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: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -203.143628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.143628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.143628 (E_RNA) where: Base-Base interactions energy: -131.716 where: short stacking energy: -60.401 Base-Backbone interact. energy: -0.252 local terms energy: -71.175374 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -17.756 flat angles C4'-P-C4' energy: -18.243 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -12.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -213.213578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.213578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.213578 (E_RNA) where: Base-Base interactions energy: -142.674 where: short stacking energy: -69.144 Base-Backbone interact. energy: -0.841 local terms energy: -69.699009 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -10.494 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -19.209 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: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -192.851095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.851095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.851095 (E_RNA) where: Base-Base interactions energy: -132.453 where: short stacking energy: -63.908 Base-Backbone interact. energy: -0.523 local terms energy: -59.874826 where: bonds (distance) C4'-P energy: -16.891 bonds (distance) P-C4' energy: -12.234 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -9.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -181.361811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.361811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.361811 (E_RNA) where: Base-Base interactions energy: -123.266 where: short stacking energy: -60.462 Base-Backbone interact. energy: -0.007 local terms energy: -58.089226 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -14.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -288.744319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.744319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.744319 (E_RNA) where: Base-Base interactions energy: -202.628 where: short stacking energy: -77.326 Base-Backbone interact. energy: -1.262 local terms energy: -84.854083 where: bonds (distance) C4'-P energy: -17.325 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -17.911 flat angles P-C4'-P energy: -13.552 tors. eta vs tors. theta energy: -19.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -285.947129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.947129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.947129 (E_RNA) where: Base-Base interactions energy: -199.154 where: short stacking energy: -88.272 Base-Backbone interact. energy: -1.083 local terms energy: -85.710122 where: bonds (distance) C4'-P energy: -16.569 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -18.300 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -22.730 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: 3, replica: 1 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -273.597007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.597007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.597007 (E_RNA) where: Base-Base interactions energy: -198.249 where: short stacking energy: -83.183 Base-Backbone interact. energy: -0.359 local terms energy: -74.988460 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -18.404 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -17.753 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: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -271.057154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.057154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.057154 (E_RNA) where: Base-Base interactions energy: -195.630 where: short stacking energy: -82.912 Base-Backbone interact. energy: 2.485 local terms energy: -77.911982 where: bonds (distance) C4'-P energy: -18.409 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -18.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -261.460475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.460475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.460475 (E_RNA) where: Base-Base interactions energy: -193.085 where: short stacking energy: -81.989 Base-Backbone interact. energy: -0.392 local terms energy: -67.983854 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -11.261 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -17.965 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: 182 Temperature: 1.150000 Total energy: -252.038365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.038365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.038365 (E_RNA) where: Base-Base interactions energy: -186.926 where: short stacking energy: -68.015 Base-Backbone interact. energy: -0.451 local terms energy: -64.660841 where: bonds (distance) C4'-P energy: -10.408 bonds (distance) P-C4' energy: -18.221 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -12.077 tors. eta vs tors. theta energy: -13.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -204.558257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.558257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.558257 (E_RNA) where: Base-Base interactions energy: -138.809 where: short stacking energy: -63.152 Base-Backbone interact. energy: -0.147 local terms energy: -65.601899 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -16.315 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -13.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -186.673490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.673490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.673490 (E_RNA) where: Base-Base interactions energy: -120.460 where: short stacking energy: -58.783 Base-Backbone interact. energy: -0.040 local terms energy: -66.172507 where: bonds (distance) C4'-P energy: -18.332 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -12.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -190.171723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.171723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.171723 (E_RNA) where: Base-Base interactions energy: -123.331 where: short stacking energy: -60.218 Base-Backbone interact. energy: -0.107 local terms energy: -66.733427 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -17.392 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -15.955 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: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -135.079806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.079806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.079806 (E_RNA) where: Base-Base interactions energy: -81.312 where: short stacking energy: -48.607 Base-Backbone interact. energy: -0.395 local terms energy: -53.373016 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -14.513 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -6.079 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: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -282.170113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.170113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.170113 (E_RNA) where: Base-Base interactions energy: -192.397 where: short stacking energy: -79.696 Base-Backbone interact. energy: -1.769 local terms energy: -88.004689 where: bonds (distance) C4'-P energy: -18.886 bonds (distance) P-C4' energy: -18.526 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -13.143 tors. eta vs tors. theta energy: -21.127 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: 2, replica: 1 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -282.044461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.044461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.044461 (E_RNA) where: Base-Base interactions energy: -203.681 where: short stacking energy: -87.025 Base-Backbone interact. energy: -1.471 local terms energy: -76.893039 where: bonds (distance) C4'-P energy: -17.925 bonds (distance) P-C4' energy: -18.694 flat angles C4'-P-C4' energy: -16.764 flat angles P-C4'-P energy: -6.732 tors. eta vs tors. theta energy: -16.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -286.830128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.830128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.830128 (E_RNA) where: Base-Base interactions energy: -200.744 where: short stacking energy: -84.461 Base-Backbone interact. energy: -0.341 local terms energy: -85.744543 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -19.207 flat angles C4'-P-C4' energy: -17.639 flat angles P-C4'-P energy: -12.226 tors. eta vs tors. theta energy: -21.643 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: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -271.556398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.556398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.556398 (E_RNA) where: Base-Base interactions energy: -190.591 where: short stacking energy: -81.620 Base-Backbone interact. energy: -1.207 local terms energy: -79.758546 where: bonds (distance) C4'-P energy: -16.712 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -21.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -266.205108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.205108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.205108 (E_RNA) where: Base-Base interactions energy: -192.669 where: short stacking energy: -79.843 Base-Backbone interact. energy: -1.427 local terms energy: -72.109108 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -13.817 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: 5 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -256.011665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.011665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.011665 (E_RNA) where: Base-Base interactions energy: -184.717 where: short stacking energy: -75.783 Base-Backbone interact. energy: -0.194 local terms energy: -71.100956 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -15.841 flat angles C4'-P-C4' energy: -15.613 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -15.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -203.515051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.515051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.515051 (E_RNA) where: Base-Base interactions energy: -129.203 where: short stacking energy: -63.705 Base-Backbone interact. energy: 0.199 local terms energy: -74.511255 where: bonds (distance) C4'-P energy: -17.678 bonds (distance) P-C4' energy: -16.186 flat angles C4'-P-C4' energy: -17.464 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: -15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -196.946775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.946775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.946775 (E_RNA) where: Base-Base interactions energy: -134.989 where: short stacking energy: -60.854 Base-Backbone interact. energy: -0.177 local terms energy: -61.781401 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -7.764 tors. eta vs tors. theta energy: -14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -202.829512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.829512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.829512 (E_RNA) where: Base-Base interactions energy: -137.906 where: short stacking energy: -80.087 Base-Backbone interact. energy: -0.356 local terms energy: -64.567422 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -16.692 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -15.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -107.855370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.855370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.855370 (E_RNA) where: Base-Base interactions energy: -65.540 where: short stacking energy: -39.452 Base-Backbone interact. energy: 1.058 local terms energy: -43.372746 where: bonds (distance) C4'-P energy: -8.367 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -5.236 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: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -286.019122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.019122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.019122 (E_RNA) where: Base-Base interactions energy: -203.831 where: short stacking energy: -83.757 Base-Backbone interact. energy: -2.263 local terms energy: -79.925709 where: bonds (distance) C4'-P energy: -19.019 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -16.163 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: -22.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -282.862652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.862652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.862652 (E_RNA) where: Base-Base interactions energy: -203.209 where: short stacking energy: -85.497 Base-Backbone interact. energy: -2.958 local terms energy: -76.695960 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -15.875 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -19.827 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: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -271.430082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.430082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.430082 (E_RNA) where: Base-Base interactions energy: -195.078 where: short stacking energy: -82.545 Base-Backbone interact. energy: -0.761 local terms energy: -75.590449 where: bonds (distance) C4'-P energy: -15.106 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -14.584 flat angles P-C4'-P energy: -13.569 tors. eta vs tors. theta energy: -17.302 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: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -272.960586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.960586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.960586 (E_RNA) where: Base-Base interactions energy: -195.940 where: short stacking energy: -81.841 Base-Backbone interact. energy: 1.540 local terms energy: -78.560268 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -18.756 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -18.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -263.444073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.444073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.444073 (E_RNA) where: Base-Base interactions energy: -193.837 where: short stacking energy: -72.577 Base-Backbone interact. energy: -0.306 local terms energy: -69.301363 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -18.746 flat angles C4'-P-C4' energy: -17.177 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -15.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -253.577919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.577919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.577919 (E_RNA) where: Base-Base interactions energy: -185.593 where: short stacking energy: -70.859 Base-Backbone interact. energy: -0.950 local terms energy: -67.034713 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -11.074 tors. eta vs tors. theta energy: -15.391 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: 184 Temperature: 1.200000 Total energy: -254.385962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.385962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.385962 (E_RNA) where: Base-Base interactions energy: -183.947 where: short stacking energy: -77.065 Base-Backbone interact. energy: -0.901 local terms energy: -69.538093 where: bonds (distance) C4'-P energy: -16.521 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -17.647 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -18.567 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: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -202.021521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.021521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.021521 (E_RNA) where: Base-Base interactions energy: -137.596 where: short stacking energy: -65.595 Base-Backbone interact. energy: -0.257 local terms energy: -64.169343 where: bonds (distance) C4'-P energy: -9.066 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -14.252 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -184.714071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.714071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.714071 (E_RNA) where: Base-Base interactions energy: -123.312 where: short stacking energy: -59.968 Base-Backbone interact. energy: -0.263 local terms energy: -61.139041 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -16.533 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -12.034 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: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -104.805914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.805914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.805914 (E_RNA) where: Base-Base interactions energy: -45.303 where: short stacking energy: -38.125 Base-Backbone interact. energy: -0.408 local terms energy: -59.094953 where: bonds (distance) C4'-P energy: -14.166 bonds (distance) P-C4' energy: -17.392 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -9.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -283.416820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.416820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.416820 (E_RNA) where: Base-Base interactions energy: -199.251 where: short stacking energy: -86.737 Base-Backbone interact. energy: -0.812 local terms energy: -83.354047 where: bonds (distance) C4'-P energy: -18.488 bonds (distance) P-C4' energy: -15.366 flat angles C4'-P-C4' energy: -17.471 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -20.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -280.946167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.946167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.946167 (E_RNA) where: Base-Base interactions energy: -204.542 where: short stacking energy: -86.098 Base-Backbone interact. energy: 0.387 local terms energy: -76.790633 where: bonds (distance) C4'-P energy: -17.540 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -16.596 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: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -281.101249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.101249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.101249 (E_RNA) where: Base-Base interactions energy: -190.556 where: short stacking energy: -80.694 Base-Backbone interact. energy: -1.361 local terms energy: -89.183902 where: bonds (distance) C4'-P energy: -18.319 bonds (distance) P-C4' energy: -18.252 flat angles C4'-P-C4' energy: -18.599 flat angles P-C4'-P energy: -13.162 tors. eta vs tors. theta energy: -20.851 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: 4 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -271.649984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.649984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.649984 (E_RNA) where: Base-Base interactions energy: -187.627 where: short stacking energy: -77.930 Base-Backbone interact. energy: 1.349 local terms energy: -85.371535 where: bonds (distance) C4'-P energy: -18.356 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -20.480 flat angles P-C4'-P energy: -13.038 tors. eta vs tors. theta energy: -17.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -270.939939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.939939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.939939 (E_RNA) where: Base-Base interactions energy: -193.079 where: short stacking energy: -76.302 Base-Backbone interact. energy: -0.999 local terms energy: -76.861751 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -14.232 tors. eta vs tors. theta energy: -15.661 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: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -256.171494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.171494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.171494 (E_RNA) where: Base-Base interactions energy: -190.046 where: short stacking energy: -75.356 Base-Backbone interact. energy: -0.172 local terms energy: -65.953702 where: bonds (distance) C4'-P energy: -9.268 bonds (distance) P-C4' energy: -17.607 flat angles C4'-P-C4' energy: -17.746 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -10.323 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: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -258.595171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.595171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.595171 (E_RNA) where: Base-Base interactions energy: -182.534 where: short stacking energy: -79.871 Base-Backbone interact. energy: -0.643 local terms energy: -75.417349 where: bonds (distance) C4'-P energy: -15.627 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -13.436 tors. eta vs tors. theta energy: -18.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -193.886663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.886663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.886663 (E_RNA) where: Base-Base interactions energy: -125.525 where: short stacking energy: -56.771 Base-Backbone interact. energy: -0.061 local terms energy: -68.300434 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -17.740 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -16.994 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: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -183.416611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.416611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.416611 (E_RNA) where: Base-Base interactions energy: -122.726 where: short stacking energy: -59.043 Base-Backbone interact. energy: -0.146 local terms energy: -60.544494 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -14.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -95.006073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.006073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.006073 (E_RNA) where: Base-Base interactions energy: -37.093 where: short stacking energy: -37.093 Base-Backbone interact. energy: -0.167 local terms energy: -57.745802 where: bonds (distance) C4'-P energy: -16.679 bonds (distance) P-C4' energy: -14.461 flat angles C4'-P-C4' energy: -13.965 flat angles P-C4'-P energy: -6.866 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: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -287.244613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.244613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.244613 (E_RNA) where: Base-Base interactions energy: -202.883 where: short stacking energy: -81.438 Base-Backbone interact. energy: -0.190 local terms energy: -84.171073 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -17.461 flat angles C4'-P-C4' energy: -17.191 flat angles P-C4'-P energy: -10.493 tors. eta vs tors. theta energy: -20.939 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: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -286.256821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.256821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.256821 (E_RNA) where: Base-Base interactions energy: -199.140 where: short stacking energy: -85.291 Base-Backbone interact. energy: -1.515 local terms energy: -85.602741 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -18.629 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -13.860 tors. eta vs tors. theta energy: -22.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -277.619138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.619138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.619138 (E_RNA) where: Base-Base interactions energy: -196.854 where: short stacking energy: -82.647 Base-Backbone interact. energy: -0.956 local terms energy: -79.809891 where: bonds (distance) C4'-P energy: -15.309 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -16.665 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -24.072 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: 4 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -271.102672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.102672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.102672 (E_RNA) where: Base-Base interactions energy: -195.598 where: short stacking energy: -82.465 Base-Backbone interact. energy: -0.070 local terms energy: -75.434423 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -17.508 flat angles P-C4'-P energy: -11.343 tors. eta vs tors. theta energy: -21.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -262.760052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.760052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.760052 (E_RNA) where: Base-Base interactions energy: -192.945 where: short stacking energy: -74.087 Base-Backbone interact. energy: -0.178 local terms energy: -69.636258 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -16.545 flat angles C4'-P-C4' energy: -16.515 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -265.424444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.424444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.424444 (E_RNA) where: Base-Base interactions energy: -180.345 where: short stacking energy: -76.110 Base-Backbone interact. energy: -1.864 local terms energy: -83.214998 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -17.496 flat angles C4'-P-C4' energy: -15.884 flat angles P-C4'-P energy: -13.284 tors. eta vs tors. theta energy: -18.977 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: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -255.531644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.531644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.531644 (E_RNA) where: Base-Base interactions energy: -186.451 where: short stacking energy: -71.717 Base-Backbone interact. energy: -0.312 local terms energy: -68.768174 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -18.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -214.097372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.097372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.097372 (E_RNA) where: Base-Base interactions energy: -144.874 where: short stacking energy: -77.857 Base-Backbone interact. energy: -0.036 local terms energy: -69.187449 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -18.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -131.623034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.623034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.623034 (E_RNA) where: Base-Base interactions energy: -76.948 where: short stacking energy: -34.850 Base-Backbone interact. energy: -0.274 local terms energy: -54.400804 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -7.881 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: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -212.009310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.009310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.009310 (E_RNA) where: Base-Base interactions energy: -143.375 where: short stacking energy: -67.390 Base-Backbone interact. energy: -0.059 local terms energy: -68.575028 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -12.090 flat angles C4'-P-C4' energy: -17.678 flat angles P-C4'-P energy: -11.899 tors. eta vs tors. theta energy: -11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -280.821860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.821860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.821860 (E_RNA) where: Base-Base interactions energy: -198.379 where: short stacking energy: -83.772 Base-Backbone interact. energy: -0.442 local terms energy: -82.001025 where: bonds (distance) C4'-P energy: -17.529 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -16.695 flat angles P-C4'-P energy: -12.133 tors. eta vs tors. theta energy: -19.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -282.002384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.002384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.002384 (E_RNA) where: Base-Base interactions energy: -201.634 where: short stacking energy: -85.986 Base-Backbone interact. energy: -0.151 local terms energy: -80.217406 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -18.445 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -23.026 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: 3, replica: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -274.137013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.137013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.137013 (E_RNA) where: Base-Base interactions energy: -191.554 where: short stacking energy: -80.527 Base-Backbone interact. energy: -0.703 local terms energy: -81.879787 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -15.830 flat angles P-C4'-P energy: -12.582 tors. eta vs tors. theta energy: -20.951 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: 5 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -263.686063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.686063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.686063 (E_RNA) where: Base-Base interactions energy: -191.341 where: short stacking energy: -74.061 Base-Backbone interact. energy: -0.219 local terms energy: -72.125280 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -15.877 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -12.598 tors. eta vs tors. theta energy: -13.711 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: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -262.804121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.804121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.804121 (E_RNA) where: Base-Base interactions energy: -194.010 where: short stacking energy: -82.593 Base-Backbone interact. energy: -0.091 local terms energy: -68.702443 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -18.717 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: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -272.722566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.722566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.722566 (E_RNA) where: Base-Base interactions energy: -199.138 where: short stacking energy: -77.297 Base-Backbone interact. energy: -0.145 local terms energy: -73.439179 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -17.367 flat angles P-C4'-P energy: -12.678 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -264.176545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.176545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.176545 (E_RNA) where: Base-Base interactions energy: -187.722 where: short stacking energy: -80.118 Base-Backbone interact. energy: 0.123 local terms energy: -76.577812 where: bonds (distance) C4'-P energy: -16.804 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -14.189 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: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -187.601931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.601931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.601931 (E_RNA) where: Base-Base interactions energy: -117.108 where: short stacking energy: -62.194 Base-Backbone interact. energy: -0.123 local terms energy: -70.370802 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -121.477248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.477248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.477248 (E_RNA) where: Base-Base interactions energy: -65.967 where: short stacking energy: -39.832 Base-Backbone interact. energy: -0.082 local terms energy: -55.427516 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -10.490 flat angles P-C4'-P energy: -5.969 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: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -218.705662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.705662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.705662 (E_RNA) where: Base-Base interactions energy: -153.299 where: short stacking energy: -63.633 Base-Backbone interact. energy: -0.651 local terms energy: -64.755135 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -15.016 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: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -285.059999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.059999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.059999 (E_RNA) where: Base-Base interactions energy: -202.939 where: short stacking energy: -84.832 Base-Backbone interact. energy: -0.466 local terms energy: -81.654465 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -18.355 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -11.642 tors. eta vs tors. theta energy: -18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -283.431174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.431174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.431174 (E_RNA) where: Base-Base interactions energy: -197.820 where: short stacking energy: -84.682 Base-Backbone interact. energy: -0.840 local terms energy: -84.770970 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -17.991 flat angles P-C4'-P energy: -13.488 tors. eta vs tors. theta energy: -17.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -276.805725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.805725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.805725 (E_RNA) where: Base-Base interactions energy: -194.463 where: short stacking energy: -83.513 Base-Backbone interact. energy: -1.225 local terms energy: -81.117686 where: bonds (distance) C4'-P energy: -16.800 bonds (distance) P-C4' energy: -16.984 flat angles C4'-P-C4' energy: -17.005 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -17.685 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: 5 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -258.479293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.479293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.479293 (E_RNA) where: Base-Base interactions energy: -182.889 where: short stacking energy: -77.799 Base-Backbone interact. energy: -0.911 local terms energy: -74.679675 where: bonds (distance) C4'-P energy: -15.648 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -18.263 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -13.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -268.647800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.647800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.647800 (E_RNA) where: Base-Base interactions energy: -192.866 where: short stacking energy: -79.101 Base-Backbone interact. energy: -0.095 local terms energy: -75.687030 where: bonds (distance) C4'-P energy: -19.735 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -18.093 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -18.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -267.146892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.146892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.146892 (E_RNA) where: Base-Base interactions energy: -195.455 where: short stacking energy: -84.190 Base-Backbone interact. energy: -0.156 local terms energy: -71.535856 where: bonds (distance) C4'-P energy: -16.637 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -15.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -258.154221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.154221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.154221 (E_RNA) where: Base-Base interactions energy: -186.145 where: short stacking energy: -75.774 Base-Backbone interact. energy: -0.746 local terms energy: -71.263394 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -10.327 flat angles C4'-P-C4' energy: -15.600 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -20.236 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: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -203.325517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.325517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.325517 (E_RNA) where: Base-Base interactions energy: -140.617 where: short stacking energy: -77.526 Base-Backbone interact. energy: -0.125 local terms energy: -62.583191 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -10.495 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -17.241 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: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -178.902518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.902518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.902518 (E_RNA) where: Base-Base interactions energy: -127.584 where: short stacking energy: -50.840 Base-Backbone interact. energy: -0.291 local terms energy: -51.027635 where: bonds (distance) C4'-P energy: -9.133 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: -11.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -98.062399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.062399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.062399 (E_RNA) where: Base-Base interactions energy: -50.203 where: short stacking energy: -41.227 Base-Backbone interact. energy: -0.076 local terms energy: -47.783508 where: bonds (distance) C4'-P energy: -10.781 bonds (distance) P-C4' energy: -15.503 flat angles C4'-P-C4' energy: -15.619 flat angles P-C4'-P energy: -3.010 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: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -289.379321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.379321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.379321 (E_RNA) where: Base-Base interactions energy: -202.847 where: short stacking energy: -88.261 Base-Backbone interact. energy: -2.275 local terms energy: -84.257994 where: bonds (distance) C4'-P energy: -16.357 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -17.514 flat angles P-C4'-P energy: -13.763 tors. eta vs tors. theta energy: -23.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -279.573370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.573370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.573370 (E_RNA) where: Base-Base interactions energy: -199.338 where: short stacking energy: -81.560 Base-Backbone interact. energy: -0.428 local terms energy: -79.807668 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -15.648 flat angles C4'-P-C4' energy: -19.955 flat angles P-C4'-P energy: -13.189 tors. eta vs tors. theta energy: -17.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -274.747507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.747507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.747507 (E_RNA) where: Base-Base interactions energy: -192.036 where: short stacking energy: -80.417 Base-Backbone interact. energy: 1.328 local terms energy: -84.039899 where: bonds (distance) C4'-P energy: -18.461 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -17.120 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -22.065 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: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -265.907266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.907266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.907266 (E_RNA) where: Base-Base interactions energy: -188.299 where: short stacking energy: -73.941 Base-Backbone interact. energy: -0.266 local terms energy: -77.342517 where: bonds (distance) C4'-P energy: -17.278 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -17.259 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -261.525724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.525724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.525724 (E_RNA) where: Base-Base interactions energy: -196.230 where: short stacking energy: -77.100 Base-Backbone interact. energy: -0.633 local terms energy: -64.663228 where: bonds (distance) C4'-P energy: -7.368 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -14.177 tors. eta vs tors. theta energy: -13.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -260.108687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.108687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.108687 (E_RNA) where: Base-Base interactions energy: -185.898 where: short stacking energy: -74.069 Base-Backbone interact. energy: -0.215 local terms energy: -73.995733 where: bonds (distance) C4'-P energy: -11.408 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -16.036 flat angles P-C4'-P energy: -12.778 tors. eta vs tors. theta energy: -19.692 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: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -248.627000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.627000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.627000 (E_RNA) where: Base-Base interactions energy: -181.888 where: short stacking energy: -72.524 Base-Backbone interact. energy: 0.941 local terms energy: -67.679340 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -16.012 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -17.589 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: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -200.035009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.035009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.035009 (E_RNA) where: Base-Base interactions energy: -126.345 where: short stacking energy: -61.265 Base-Backbone interact. energy: -0.075 local terms energy: -73.615367 where: bonds (distance) C4'-P energy: -16.666 bonds (distance) P-C4' energy: -16.856 flat angles C4'-P-C4' energy: -16.582 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -13.226 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: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -169.821785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.821785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.821785 (E_RNA) where: Base-Base interactions energy: -109.895 where: short stacking energy: -44.172 Base-Backbone interact. energy: -0.140 local terms energy: -59.786637 where: bonds (distance) C4'-P energy: -18.073 bonds (distance) P-C4' energy: -18.837 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -9.128 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: 7 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -134.073488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.073488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.073488 (E_RNA) where: Base-Base interactions energy: -74.132 where: short stacking energy: -37.411 Base-Backbone interact. energy: 0.797 local terms energy: -60.738521 where: bonds (distance) C4'-P energy: -17.726 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -286.566092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.566092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.566092 (E_RNA) where: Base-Base interactions energy: -198.816 where: short stacking energy: -87.156 Base-Backbone interact. energy: -0.938 local terms energy: -86.812053 where: bonds (distance) C4'-P energy: -18.361 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -17.401 flat angles P-C4'-P energy: -13.936 tors. eta vs tors. theta energy: -22.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -281.099385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.099385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.099385 (E_RNA) where: Base-Base interactions energy: -197.337 where: short stacking energy: -89.145 Base-Backbone interact. energy: 1.587 local terms energy: -85.349338 where: bonds (distance) C4'-P energy: -17.828 bonds (distance) P-C4' energy: -18.073 flat angles C4'-P-C4' energy: -18.133 flat angles P-C4'-P energy: -11.129 tors. eta vs tors. theta energy: -20.187 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: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -276.822399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.822399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.822399 (E_RNA) where: Base-Base interactions energy: -200.410 where: short stacking energy: -88.305 Base-Backbone interact. energy: 0.187 local terms energy: -76.598782 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -14.968 flat angles P-C4'-P energy: -11.663 tors. eta vs tors. theta energy: -22.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -262.949325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.949325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.949325 (E_RNA) where: Base-Base interactions energy: -189.616 where: short stacking energy: -73.873 Base-Backbone interact. energy: -0.129 local terms energy: -73.204165 where: bonds (distance) C4'-P energy: -14.937 bonds (distance) P-C4' energy: -15.380 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -20.139 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: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -273.595307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.595307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.595307 (E_RNA) where: Base-Base interactions energy: -195.557 where: short stacking energy: -81.561 Base-Backbone interact. energy: -1.055 local terms energy: -76.983209 where: bonds (distance) C4'-P energy: -16.704 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -18.936 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -21.501 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: 5 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -253.566933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.566933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.566933 (E_RNA) where: Base-Base interactions energy: -176.155 where: short stacking energy: -61.485 Base-Backbone interact. energy: -0.914 local terms energy: -76.498309 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -18.253 flat angles C4'-P-C4' energy: -17.856 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -12.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -253.756151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.756151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.756151 (E_RNA) where: Base-Base interactions energy: -184.572 where: short stacking energy: -73.274 Base-Backbone interact. energy: -0.161 local terms energy: -69.023342 where: bonds (distance) C4'-P energy: -15.123 bonds (distance) P-C4' energy: -10.427 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -200.143565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.143565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.143565 (E_RNA) where: Base-Base interactions energy: -126.130 where: short stacking energy: -60.505 Base-Backbone interact. energy: -1.067 local terms energy: -72.946749 where: bonds (distance) C4'-P energy: -10.742 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -17.273 flat angles P-C4'-P energy: -14.290 tors. eta vs tors. theta energy: -14.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -147.428776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.428776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.428776 (E_RNA) where: Base-Base interactions energy: -90.173 where: short stacking energy: -51.329 Base-Backbone interact. energy: -0.071 local terms energy: -57.184405 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -17.182 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -116.046840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.046840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.046840 (E_RNA) where: Base-Base interactions energy: -62.530 where: short stacking energy: -38.175 Base-Backbone interact. energy: 1.220 local terms energy: -54.736526 where: bonds (distance) C4'-P energy: -16.003 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -11.791 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: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -289.198904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.198904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.198904 (E_RNA) where: Base-Base interactions energy: -197.934 where: short stacking energy: -85.943 Base-Backbone interact. energy: -0.157 local terms energy: -91.107961 where: bonds (distance) C4'-P energy: -19.171 bonds (distance) P-C4' energy: -18.384 flat angles C4'-P-C4' energy: -19.166 flat angles P-C4'-P energy: -14.897 tors. eta vs tors. theta energy: -19.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -289.429957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.429957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.429957 (E_RNA) where: Base-Base interactions energy: -207.210 where: short stacking energy: -87.628 Base-Backbone interact. energy: -0.958 local terms energy: -81.261925 where: bonds (distance) C4'-P energy: -17.093 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -18.597 flat angles P-C4'-P energy: -12.002 tors. eta vs tors. theta energy: -18.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -278.939219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.939219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.939219 (E_RNA) where: Base-Base interactions energy: -203.464 where: short stacking energy: -83.559 Base-Backbone interact. energy: 1.752 local terms energy: -77.227154 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -18.797 flat angles C4'-P-C4' energy: -18.149 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -19.131 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: 191 Temperature: 1.050000 Total energy: -277.159680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.159680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.159680 (E_RNA) where: Base-Base interactions energy: -200.144 where: short stacking energy: -81.090 Base-Backbone interact. energy: -0.101 local terms energy: -76.914308 where: bonds (distance) C4'-P energy: -14.294 bonds (distance) P-C4' energy: -16.992 flat angles C4'-P-C4' energy: -17.505 flat angles P-C4'-P energy: -10.623 tors. eta vs tors. theta energy: -17.500 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: 8 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -269.598229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.598229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.598229 (E_RNA) where: Base-Base interactions energy: -194.327 where: short stacking energy: -88.491 Base-Backbone interact. energy: -0.551 local terms energy: -74.720309 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -12.699 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -21.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -267.800092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.800092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.800092 (E_RNA) where: Base-Base interactions energy: -195.038 where: short stacking energy: -82.428 Base-Backbone interact. energy: -0.561 local terms energy: -72.201044 where: bonds (distance) C4'-P energy: -10.597 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -21.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -251.976542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.976542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.976542 (E_RNA) where: Base-Base interactions energy: -185.861 where: short stacking energy: -73.058 Base-Backbone interact. energy: -0.197 local terms energy: -65.918452 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -15.595 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -14.243 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: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -225.387733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.387733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.387733 (E_RNA) where: Base-Base interactions energy: -147.537 where: short stacking energy: -78.570 Base-Backbone interact. energy: -0.136 local terms energy: -77.715014 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -17.008 flat angles C4'-P-C4' energy: -18.869 flat angles P-C4'-P energy: -12.936 tors. eta vs tors. theta energy: -16.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -157.938474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.938474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.938474 (E_RNA) where: Base-Base interactions energy: -102.762 where: short stacking energy: -59.680 Base-Backbone interact. energy: 0.371 local terms energy: -55.548112 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -11.596 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -102.083793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.083793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.083793 (E_RNA) where: Base-Base interactions energy: -50.061 where: short stacking energy: -28.432 Base-Backbone interact. energy: -0.806 local terms energy: -51.215904 where: bonds (distance) C4'-P energy: -18.684 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -8.850 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: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -288.559738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.559738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.559738 (E_RNA) where: Base-Base interactions energy: -206.650 where: short stacking energy: -91.622 Base-Backbone interact. energy: -0.094 local terms energy: -81.816075 where: bonds (distance) C4'-P energy: -16.816 bonds (distance) P-C4' energy: -17.621 flat angles C4'-P-C4' energy: -16.860 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -21.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -291.630996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.630996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.630996 (E_RNA) where: Base-Base interactions energy: -208.988 where: short stacking energy: -90.020 Base-Backbone interact. energy: -0.192 local terms energy: -82.450945 where: bonds (distance) C4'-P energy: -16.861 bonds (distance) P-C4' energy: -18.351 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -11.694 tors. eta vs tors. theta energy: -19.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -275.093184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.093184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.093184 (E_RNA) where: Base-Base interactions energy: -192.967 where: short stacking energy: -80.854 Base-Backbone interact. energy: -0.430 local terms energy: -81.696190 where: bonds (distance) C4'-P energy: -16.605 bonds (distance) P-C4' energy: -15.070 flat angles C4'-P-C4' energy: -17.345 flat angles P-C4'-P energy: -12.767 tors. eta vs tors. theta energy: -19.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -272.838473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.838473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.838473 (E_RNA) where: Base-Base interactions energy: -185.769 where: short stacking energy: -81.081 Base-Backbone interact. energy: 1.812 local terms energy: -88.880740 where: bonds (distance) C4'-P energy: -16.122 bonds (distance) P-C4' energy: -19.701 flat angles C4'-P-C4' energy: -19.531 flat angles P-C4'-P energy: -11.843 tors. eta vs tors. theta energy: -21.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -272.151634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.151634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.151634 (E_RNA) where: Base-Base interactions energy: -193.614 where: short stacking energy: -76.436 Base-Backbone interact. energy: 0.987 local terms energy: -79.524715 where: bonds (distance) C4'-P energy: -18.355 bonds (distance) P-C4' energy: -18.789 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -11.017 tors. eta vs tors. theta energy: -17.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -248.525608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.525608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.525608 (E_RNA) where: Base-Base interactions energy: -172.918 where: short stacking energy: -74.682 Base-Backbone interact. energy: -0.112 local terms energy: -75.495340 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -18.228 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -19.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -254.533457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.533457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.533457 (E_RNA) where: Base-Base interactions energy: -177.259 where: short stacking energy: -65.149 Base-Backbone interact. energy: -0.210 local terms energy: -77.064459 where: bonds (distance) C4'-P energy: -16.701 bonds (distance) P-C4' energy: -16.997 flat angles C4'-P-C4' energy: -18.444 flat angles P-C4'-P energy: -13.438 tors. eta vs tors. theta energy: -11.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -216.853542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.853542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.853542 (E_RNA) where: Base-Base interactions energy: -140.191 where: short stacking energy: -68.015 Base-Backbone interact. energy: -0.288 local terms energy: -76.374394 where: bonds (distance) C4'-P energy: -18.084 bonds (distance) P-C4' energy: -18.594 flat angles C4'-P-C4' energy: -15.772 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -18.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -179.753636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.753636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.753636 (E_RNA) where: Base-Base interactions energy: -117.662 where: short stacking energy: -46.710 Base-Backbone interact. energy: -0.671 local terms energy: -61.420871 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -17.660 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -11.607 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: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -127.161884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.161884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.161884 (E_RNA) where: Base-Base interactions energy: -74.165 where: short stacking energy: -38.897 Base-Backbone interact. energy: -0.106 local terms energy: -52.891099 where: bonds (distance) C4'-P energy: -15.817 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -6.771 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: 1, replica: 1 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -281.422043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.422043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.422043 (E_RNA) where: Base-Base interactions energy: -204.049 where: short stacking energy: -85.306 Base-Backbone interact. energy: -0.191 local terms energy: -77.182329 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -14.397 flat angles C4'-P-C4' energy: -17.229 flat angles P-C4'-P energy: -10.559 tors. eta vs tors. theta energy: -21.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -281.852910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.852910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.852910 (E_RNA) where: Base-Base interactions energy: -202.403 where: short stacking energy: -86.981 Base-Backbone interact. energy: -0.424 local terms energy: -79.025979 where: bonds (distance) C4'-P energy: -16.028 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -18.644 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -17.534 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: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -279.381682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.381682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.381682 (E_RNA) where: Base-Base interactions energy: -192.444 where: short stacking energy: -81.969 Base-Backbone interact. energy: -0.440 local terms energy: -86.497323 where: bonds (distance) C4'-P energy: -18.443 bonds (distance) P-C4' energy: -18.197 flat angles C4'-P-C4' energy: -18.730 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -19.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -277.532765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.532765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.532765 (E_RNA) where: Base-Base interactions energy: -193.435 where: short stacking energy: -82.508 Base-Backbone interact. energy: -0.103 local terms energy: -83.995598 where: bonds (distance) C4'-P energy: -17.747 bonds (distance) P-C4' energy: -17.457 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -15.519 tors. eta vs tors. theta energy: -18.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -261.211698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.211698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.211698 (E_RNA) where: Base-Base interactions energy: -186.902 where: short stacking energy: -73.278 Base-Backbone interact. energy: 0.284 local terms energy: -74.593375 where: bonds (distance) C4'-P energy: -17.561 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -16.250 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -18.287 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: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -252.319890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.319890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.319890 (E_RNA) where: Base-Base interactions energy: -185.100 where: short stacking energy: -71.295 Base-Backbone interact. energy: -0.317 local terms energy: -66.903019 where: bonds (distance) C4'-P energy: -15.755 bonds (distance) P-C4' energy: -17.716 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -255.354681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.354681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.354681 (E_RNA) where: Base-Base interactions energy: -180.491 where: short stacking energy: -79.408 Base-Backbone interact. energy: -0.911 local terms energy: -73.953487 where: bonds (distance) C4'-P energy: -16.857 bonds (distance) P-C4' energy: -12.186 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -12.451 tors. eta vs tors. theta energy: -19.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -221.721058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.721058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.721058 (E_RNA) where: Base-Base interactions energy: -156.714 where: short stacking energy: -77.431 Base-Backbone interact. energy: -0.170 local terms energy: -64.837101 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -8.022 flat angles C4'-P-C4' energy: -18.028 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -173.185149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.185149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.185149 (E_RNA) where: Base-Base interactions energy: -107.938 where: short stacking energy: -52.852 Base-Backbone interact. energy: 0.456 local terms energy: -65.703234 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -16.091 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -13.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -127.056380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.056380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.056380 (E_RNA) where: Base-Base interactions energy: -72.113 where: short stacking energy: -39.942 Base-Backbone interact. energy: -0.008 local terms energy: -54.935495 where: bonds (distance) C4'-P energy: -15.736 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -11.354 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: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -280.878137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.878137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.878137 (E_RNA) where: Base-Base interactions energy: -203.202 where: short stacking energy: -83.510 Base-Backbone interact. energy: -0.322 local terms energy: -77.354183 where: bonds (distance) C4'-P energy: -16.635 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -18.790 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -17.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -288.985853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.985853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.985853 (E_RNA) where: Base-Base interactions energy: -208.805 where: short stacking energy: -90.519 Base-Backbone interact. energy: 1.501 local terms energy: -81.682083 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -18.445 flat angles C4'-P-C4' energy: -20.300 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -17.369 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: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -280.683845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.683845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.683845 (E_RNA) where: Base-Base interactions energy: -200.163 where: short stacking energy: -83.072 Base-Backbone interact. energy: 1.070 local terms energy: -81.591226 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -19.706 flat angles P-C4'-P energy: -13.988 tors. eta vs tors. theta energy: -17.858 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: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -270.611961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.611961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.611961 (E_RNA) where: Base-Base interactions energy: -190.001 where: short stacking energy: -72.978 Base-Backbone interact. energy: -1.455 local terms energy: -79.155855 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -18.049 flat angles C4'-P-C4' energy: -19.179 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -16.533 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: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -256.997391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.997391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.997391 (E_RNA) where: Base-Base interactions energy: -183.709 where: short stacking energy: -67.729 Base-Backbone interact. energy: -0.446 local terms energy: -72.842521 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -15.599 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -16.310 tors. eta vs tors. theta energy: -11.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -256.441289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.441289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.441289 (E_RNA) where: Base-Base interactions energy: -184.253 where: short stacking energy: -73.280 Base-Backbone interact. energy: -1.380 local terms energy: -70.808227 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -10.692 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -18.911 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: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -235.902417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.902417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.902417 (E_RNA) where: Base-Base interactions energy: -171.350 where: short stacking energy: -67.251 Base-Backbone interact. energy: -1.013 local terms energy: -63.539360 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -17.310 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -14.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -214.642125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.642125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.642125 (E_RNA) where: Base-Base interactions energy: -139.782 where: short stacking energy: -68.960 Base-Backbone interact. energy: -0.119 local terms energy: -74.741216 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -15.763 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -13.000 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -107.301884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.301884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.301884 (E_RNA) where: Base-Base interactions energy: -54.187 where: short stacking energy: -49.361 Base-Backbone interact. energy: -0.165 local terms energy: -52.950253 where: bonds (distance) C4'-P energy: -10.179 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -9.445 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: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -128.020261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.020261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.020261 (E_RNA) where: Base-Base interactions energy: -70.158 where: short stacking energy: -47.906 Base-Backbone interact. energy: -0.012 local terms energy: -57.850803 where: bonds (distance) C4'-P energy: -16.074 bonds (distance) P-C4' energy: -18.903 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: 0.841 tors. eta vs tors. theta energy: -10.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -284.702925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.702925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.702925 (E_RNA) where: Base-Base interactions energy: -203.764 where: short stacking energy: -85.869 Base-Backbone interact. energy: -0.480 local terms energy: -80.458923 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -18.091 flat angles C4'-P-C4' energy: -20.378 flat angles P-C4'-P energy: -6.565 tors. eta vs tors. theta energy: -21.108 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: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -281.904312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.904312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.904312 (E_RNA) where: Base-Base interactions energy: -195.869 where: short stacking energy: -80.705 Base-Backbone interact. energy: -0.310 local terms energy: -85.725149 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -18.085 flat angles C4'-P-C4' energy: -17.092 flat angles P-C4'-P energy: -13.836 tors. eta vs tors. theta energy: -22.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -280.797161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.797161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.797161 (E_RNA) where: Base-Base interactions energy: -202.370 where: short stacking energy: -85.610 Base-Backbone interact. energy: -0.476 local terms energy: -77.951413 where: bonds (distance) C4'-P energy: -15.513 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -18.945 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -18.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -265.205396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.205396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.205396 (E_RNA) where: Base-Base interactions energy: -186.696 where: short stacking energy: -73.244 Base-Backbone interact. energy: -0.148 local terms energy: -78.362200 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -18.450 flat angles P-C4'-P energy: -11.979 tors. eta vs tors. theta energy: -15.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -267.854135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.854135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.854135 (E_RNA) where: Base-Base interactions energy: -190.542 where: short stacking energy: -83.743 Base-Backbone interact. energy: 0.233 local terms energy: -77.544237 where: bonds (distance) C4'-P energy: -17.148 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -12.116 tors. eta vs tors. theta energy: -18.593 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -249.502339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.502339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.502339 (E_RNA) where: Base-Base interactions energy: -181.008 where: short stacking energy: -70.221 Base-Backbone interact. energy: -0.146 local terms energy: -68.348291 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -16.198 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -14.602 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: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -232.826388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.826388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.826388 (E_RNA) where: Base-Base interactions energy: -157.622 where: short stacking energy: -75.614 Base-Backbone interact. energy: -0.051 local terms energy: -75.153918 where: bonds (distance) C4'-P energy: -17.503 bonds (distance) P-C4' energy: -9.504 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -11.057 tors. eta vs tors. theta energy: -20.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -209.094885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.094885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.094885 (E_RNA) where: Base-Base interactions energy: -138.957 where: short stacking energy: -72.202 Base-Backbone interact. energy: -0.256 local terms energy: -69.881944 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -12.992 tors. eta vs tors. theta energy: -16.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -109.915076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.915076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.915076 (E_RNA) where: Base-Base interactions energy: -50.181 where: short stacking energy: -41.939 Base-Backbone interact. energy: 1.075 local terms energy: -60.809314 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -17.360 flat angles P-C4'-P energy: -9.179 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: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -94.113942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.113942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.113942 (E_RNA) where: Base-Base interactions energy: -36.406 where: short stacking energy: -36.406 Base-Backbone interact. energy: -0.362 local terms energy: -57.346222 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -15.643 flat angles P-C4'-P energy: -9.508 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: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -282.473557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.473557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.473557 (E_RNA) where: Base-Base interactions energy: -198.471 where: short stacking energy: -83.810 Base-Backbone interact. energy: -1.507 local terms energy: -82.495238 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -18.694 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -14.335 tors. eta vs tors. theta energy: -22.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -278.936671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.936671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.936671 (E_RNA) where: Base-Base interactions energy: -191.981 where: short stacking energy: -75.949 Base-Backbone interact. energy: -0.807 local terms energy: -86.148646 where: bonds (distance) C4'-P energy: -18.099 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -17.428 tors. eta vs tors. theta energy: -20.158 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: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -266.978037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.978037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.978037 (E_RNA) where: Base-Base interactions energy: -193.551 where: short stacking energy: -73.731 Base-Backbone interact. energy: 2.068 local terms energy: -75.495747 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -17.387 flat angles P-C4'-P energy: -14.676 tors. eta vs tors. theta energy: -15.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -278.981657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.981657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.981657 (E_RNA) where: Base-Base interactions energy: -200.347 where: short stacking energy: -78.021 Base-Backbone interact. energy: -0.041 local terms energy: -78.594044 where: bonds (distance) C4'-P energy: -15.756 bonds (distance) P-C4' energy: -18.777 flat angles C4'-P-C4' energy: -18.340 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -16.859 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: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -265.215519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.215519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.215519 (E_RNA) where: Base-Base interactions energy: -185.003 where: short stacking energy: -75.490 Base-Backbone interact. energy: -0.161 local terms energy: -80.051041 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -16.823 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -18.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -259.918654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.918654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.918654 (E_RNA) where: Base-Base interactions energy: -190.678 where: short stacking energy: -77.229 Base-Backbone interact. energy: -0.083 local terms energy: -69.157581 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -11.974 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -17.880 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: 196 Temperature: 1.200000 Total energy: -204.608407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.608407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.608407 (E_RNA) where: Base-Base interactions energy: -130.561 where: short stacking energy: -64.138 Base-Backbone interact. energy: -0.005 local terms energy: -74.042358 where: bonds (distance) C4'-P energy: -15.735 bonds (distance) P-C4' energy: -18.415 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -15.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -247.201528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.201528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.201528 (E_RNA) where: Base-Base interactions energy: -176.295 where: short stacking energy: -66.281 Base-Backbone interact. energy: -0.228 local terms energy: -70.678311 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -18.223 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -136.053782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.053782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.053782 (E_RNA) where: Base-Base interactions energy: -75.074 where: short stacking energy: -53.731 Base-Backbone interact. energy: 0.017 local terms energy: -60.996775 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -11.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -114.166208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.166208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.166208 (E_RNA) where: Base-Base interactions energy: -68.057 where: short stacking energy: -39.225 Base-Backbone interact. energy: 1.363 local terms energy: -47.472751 where: bonds (distance) C4'-P energy: -9.313 bonds (distance) P-C4' energy: -10.618 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -10.299 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: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -286.656694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.656694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.656694 (E_RNA) where: Base-Base interactions energy: -205.512 where: short stacking energy: -86.308 Base-Backbone interact. energy: -0.107 local terms energy: -81.038039 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -17.427 flat angles C4'-P-C4' energy: -18.736 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -21.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -280.053096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.053096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.053096 (E_RNA) where: Base-Base interactions energy: -201.095 where: short stacking energy: -83.235 Base-Backbone interact. energy: 0.147 local terms energy: -79.104855 where: bonds (distance) C4'-P energy: -16.506 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -16.978 flat angles P-C4'-P energy: -12.582 tors. eta vs tors. theta energy: -15.808 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: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -261.829044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.829044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.829044 (E_RNA) where: Base-Base interactions energy: -193.932 where: short stacking energy: -68.128 Base-Backbone interact. energy: -0.730 local terms energy: -67.167519 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -18.866 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -11.490 tors. eta vs tors. theta energy: -10.895 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: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -274.125945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.125945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.125945 (E_RNA) where: Base-Base interactions energy: -200.003 where: short stacking energy: -80.141 Base-Backbone interact. energy: 0.625 local terms energy: -74.748239 where: bonds (distance) C4'-P energy: -18.182 bonds (distance) P-C4' energy: -11.830 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -15.634 tors. eta vs tors. theta energy: -16.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -271.699396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.699396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.699396 (E_RNA) where: Base-Base interactions energy: -208.253 where: short stacking energy: -84.987 Base-Backbone interact. energy: -1.140 local terms energy: -62.305621 where: bonds (distance) C4'-P energy: -8.266 bonds (distance) P-C4' energy: -9.915 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -20.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -263.748972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.748972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.748972 (E_RNA) where: Base-Base interactions energy: -192.323 where: short stacking energy: -83.728 Base-Backbone interact. energy: -0.137 local terms energy: -71.289053 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -16.465 flat angles C4'-P-C4' energy: -11.520 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -20.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -201.571361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.571361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.571361 (E_RNA) where: Base-Base interactions energy: -132.112 where: short stacking energy: -64.220 Base-Backbone interact. energy: -0.680 local terms energy: -68.779668 where: bonds (distance) C4'-P energy: -16.514 bonds (distance) P-C4' energy: -16.989 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -14.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -254.895193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.895193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.895193 (E_RNA) where: Base-Base interactions energy: -182.436 where: short stacking energy: -74.263 Base-Backbone interact. energy: -0.078 local terms energy: -72.381479 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -17.341 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -20.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -108.302188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.302188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.302188 (E_RNA) where: Base-Base interactions energy: -58.377 where: short stacking energy: -45.788 Base-Backbone interact. energy: 1.418 local terms energy: -51.344065 where: bonds (distance) C4'-P energy: -7.109 bonds (distance) P-C4' energy: -19.002 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -3.514 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: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -89.672531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.672531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.672531 (E_RNA) where: Base-Base interactions energy: -30.525 where: short stacking energy: -28.074 Base-Backbone interact. energy: -0.350 local terms energy: -58.797639 where: bonds (distance) C4'-P energy: -17.789 bonds (distance) P-C4' energy: -18.908 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -285.780599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.780599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.780599 (E_RNA) where: Base-Base interactions energy: -203.378 where: short stacking energy: -86.154 Base-Backbone interact. energy: -0.181 local terms energy: -82.221390 where: bonds (distance) C4'-P energy: -17.493 bonds (distance) P-C4' energy: -17.879 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -18.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -284.213941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.213941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.213941 (E_RNA) where: Base-Base interactions energy: -198.775 where: short stacking energy: -81.081 Base-Backbone interact. energy: -0.748 local terms energy: -84.690741 where: bonds (distance) C4'-P energy: -15.837 bonds (distance) P-C4' energy: -16.620 flat angles C4'-P-C4' energy: -17.120 flat angles P-C4'-P energy: -15.111 tors. eta vs tors. theta energy: -20.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -271.177754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.177754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.177754 (E_RNA) where: Base-Base interactions energy: -196.431 where: short stacking energy: -73.779 Base-Backbone interact. energy: -0.410 local terms energy: -74.336973 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -19.686 flat angles P-C4'-P energy: -10.915 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -264.657882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.657882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.657882 (E_RNA) where: Base-Base interactions energy: -195.048 where: short stacking energy: -75.333 Base-Backbone interact. energy: 0.110 local terms energy: -69.720051 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -18.086 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -16.584 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: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -271.214792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.214792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.214792 (E_RNA) where: Base-Base interactions energy: -196.616 where: short stacking energy: -81.713 Base-Backbone interact. energy: -1.337 local terms energy: -73.262283 where: bonds (distance) C4'-P energy: -17.491 bonds (distance) P-C4' energy: -15.419 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -16.346 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: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -274.441616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.441616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.441616 (E_RNA) where: Base-Base interactions energy: -196.287 where: short stacking energy: -87.775 Base-Backbone interact. energy: -0.144 local terms energy: -78.010845 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -17.402 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -18.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -262.820190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.820190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.820190 (E_RNA) where: Base-Base interactions energy: -185.327 where: short stacking energy: -77.960 Base-Backbone interact. energy: -0.043 local terms energy: -77.450145 where: bonds (distance) C4'-P energy: -17.661 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -17.339 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -18.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -200.756076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.756076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.756076 (E_RNA) where: Base-Base interactions energy: -136.771 where: short stacking energy: -59.751 Base-Backbone interact. energy: 1.987 local terms energy: -65.972160 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -103.401091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.401091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.401091 (E_RNA) where: Base-Base interactions energy: -44.887 where: short stacking energy: -33.159 Base-Backbone interact. energy: -0.392 local terms energy: -58.122035 where: bonds (distance) C4'-P energy: -17.718 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -17.323 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -156.222968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.222968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.222968 (E_RNA) where: Base-Base interactions energy: -102.880 where: short stacking energy: -57.907 Base-Backbone interact. energy: -0.153 local terms energy: -53.190396 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -8.030 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -12.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -285.079360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.079360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.079360 (E_RNA) where: Base-Base interactions energy: -200.181 where: short stacking energy: -82.722 Base-Backbone interact. energy: -0.071 local terms energy: -84.828143 where: bonds (distance) C4'-P energy: -18.041 bonds (distance) P-C4' energy: -18.848 flat angles C4'-P-C4' energy: -17.195 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -18.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -285.701116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.701116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.701116 (E_RNA) where: Base-Base interactions energy: -207.246 where: short stacking energy: -86.190 Base-Backbone interact. energy: -0.101 local terms energy: -78.353832 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -18.302 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -19.156 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: 199 Temperature: 1.000000 Total energy: -265.055632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.055632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.055632 (E_RNA) where: Base-Base interactions energy: -187.099 where: short stacking energy: -70.647 Base-Backbone interact. energy: -0.558 local terms energy: -77.398167 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -16.859 flat angles P-C4'-P energy: -12.522 tors. eta vs tors. theta energy: -17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -276.560303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.560303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.560303 (E_RNA) where: Base-Base interactions energy: -192.670 where: short stacking energy: -79.143 Base-Backbone interact. energy: -2.152 local terms energy: -81.738432 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -18.138 flat angles P-C4'-P energy: -13.097 tors. eta vs tors. theta energy: -19.931 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: 5, replica: 5 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -260.169124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.169124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.169124 (E_RNA) where: Base-Base interactions energy: -183.334 where: short stacking energy: -63.628 Base-Backbone interact. energy: -1.345 local terms energy: -75.489471 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -19.144 flat angles C4'-P-C4' energy: -17.230 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -13.740 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: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -263.256949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.256949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.256949 (E_RNA) where: Base-Base interactions energy: -193.758 where: short stacking energy: -85.022 Base-Backbone interact. energy: -0.225 local terms energy: -69.273458 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -14.937 flat angles C4'-P-C4' energy: -15.283 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -236.685305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.685305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.685305 (E_RNA) where: Base-Base interactions energy: -166.194 where: short stacking energy: -70.372 Base-Backbone interact. energy: -0.631 local terms energy: -69.860438 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -10.965 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -19.465 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: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -215.162043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.162043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.162043 (E_RNA) where: Base-Base interactions energy: -152.207 where: short stacking energy: -72.906 Base-Backbone interact. energy: -0.013 local terms energy: -62.941992 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -8.068 flat angles C4'-P-C4' energy: -15.558 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -14.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -101.312476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.312476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.312476 (E_RNA) where: Base-Base interactions energy: -44.314 where: short stacking energy: -24.553 Base-Backbone interact. energy: -0.448 local terms energy: -56.550474 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -18.097 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -3.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -156.212167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.212167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.212167 (E_RNA) where: Base-Base interactions energy: -104.022 where: short stacking energy: -56.045 Base-Backbone interact. energy: -0.856 local terms energy: -51.334333 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -9.079 tors. eta vs tors. theta energy: -8.463 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: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -282.298665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.298665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.298665 (E_RNA) where: Base-Base interactions energy: -202.082 where: short stacking energy: -87.379 Base-Backbone interact. energy: -0.438 local terms energy: -79.778147 where: bonds (distance) C4'-P energy: -16.219 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -18.133 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: 2, replica: 1 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -276.439414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.439414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.439414 (E_RNA) where: Base-Base interactions energy: -198.797 where: short stacking energy: -82.763 Base-Backbone interact. energy: 1.776 local terms energy: -79.418241 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -16.510 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -14.049 tors. eta vs tors. theta energy: -18.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -261.165819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.165819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.165819 (E_RNA) where: Base-Base interactions energy: -192.418 where: short stacking energy: -81.254 Base-Backbone interact. energy: -0.283 local terms energy: -68.463844 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -17.222 flat angles C4'-P-C4' energy: -16.252 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -14.543 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -261.409880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.409880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.409880 (E_RNA) where: Base-Base interactions energy: -180.155 where: short stacking energy: -72.478 Base-Backbone interact. energy: 0.590 local terms energy: -81.844372 where: bonds (distance) C4'-P energy: -18.517 bonds (distance) P-C4' energy: -16.902 flat angles C4'-P-C4' energy: -18.448 flat angles P-C4'-P energy: -13.758 tors. eta vs tors. theta energy: -14.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -272.013710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.013710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.013710 (E_RNA) where: Base-Base interactions energy: -185.042 where: short stacking energy: -75.344 Base-Backbone interact. energy: -0.190 local terms energy: -86.781730 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -18.519 flat angles C4'-P-C4' energy: -20.005 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -20.594 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: 6, replica: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -253.840992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.840992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.840992 (E_RNA) where: Base-Base interactions energy: -184.318 where: short stacking energy: -67.573 Base-Backbone interact. energy: -0.629 local terms energy: -68.893977 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -17.478 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -14.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -206.420448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.420448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.420448 (E_RNA) where: Base-Base interactions energy: -136.827 where: short stacking energy: -55.767 Base-Backbone interact. energy: -0.293 local terms energy: -69.300853 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -15.505 flat angles C4'-P-C4' energy: -15.846 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -15.852 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: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -240.548104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.548104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.548104 (E_RNA) where: Base-Base interactions energy: -173.525 where: short stacking energy: -69.720 Base-Backbone interact. energy: -0.008 local terms energy: -67.015129 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -17.046 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -17.018 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: 7 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -185.427289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.427289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.427289 (E_RNA) where: Base-Base interactions energy: -126.477 where: short stacking energy: -51.837 Base-Backbone interact. energy: -0.132 local terms energy: -58.818272 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -10.229 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: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -94.922422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.922422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.922422 (E_RNA) where: Base-Base interactions energy: -41.801 where: short stacking energy: -39.680 Base-Backbone interact. energy: -0.288 local terms energy: -52.833377 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -15.449 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -8.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -282.893332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.893332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.893332 (E_RNA) where: Base-Base interactions energy: -197.720 where: short stacking energy: -80.478 Base-Backbone interact. energy: -1.349 local terms energy: -83.824762 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -18.866 flat angles C4'-P-C4' energy: -19.969 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -18.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -279.636307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.636307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.636307 (E_RNA) where: Base-Base interactions energy: -203.393 where: short stacking energy: -84.768 Base-Backbone interact. energy: -0.067 local terms energy: -76.176883 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -17.826 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -19.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -269.200758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.200758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.200758 (E_RNA) where: Base-Base interactions energy: -197.288 where: short stacking energy: -87.767 Base-Backbone interact. energy: 0.326 local terms energy: -72.238601 where: bonds (distance) C4'-P energy: -17.532 bonds (distance) P-C4' energy: -14.644 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -16.970 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: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -263.618964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.618964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.618964 (E_RNA) where: Base-Base interactions energy: -192.641 where: short stacking energy: -77.365 Base-Backbone interact. energy: -0.190 local terms energy: -70.787107 where: bonds (distance) C4'-P energy: -15.552 bonds (distance) P-C4' energy: -15.331 flat angles C4'-P-C4' energy: -16.066 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -11.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -267.780470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.780470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.780470 (E_RNA) where: Base-Base interactions energy: -191.070 where: short stacking energy: -84.870 Base-Backbone interact. energy: -0.909 local terms energy: -75.801825 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -16.765 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -19.447 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: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -262.028777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.028777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.028777 (E_RNA) where: Base-Base interactions energy: -187.046 where: short stacking energy: -69.153 Base-Backbone interact. energy: -0.661 local terms energy: -74.321461 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -18.636 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -12.428 tors. eta vs tors. theta energy: -12.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -215.632159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.632159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.632159 (E_RNA) where: Base-Base interactions energy: -144.563 where: short stacking energy: -71.615 Base-Backbone interact. energy: -0.011 local terms energy: -71.057435 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -17.350 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -17.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -255.800750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.800750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.800750 (E_RNA) where: Base-Base interactions energy: -182.443 where: short stacking energy: -71.050 Base-Backbone interact. energy: -0.156 local terms energy: -73.202141 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -17.507 flat angles P-C4'-P energy: -10.805 tors. eta vs tors. theta energy: -17.939 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: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -203.544631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.544631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.544631 (E_RNA) where: Base-Base interactions energy: -136.681 where: short stacking energy: -71.349 Base-Backbone interact. energy: -0.093 local terms energy: -66.770567 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -15.888 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -17.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -89.747197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.747197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.747197 (E_RNA) where: Base-Base interactions energy: -25.156 where: short stacking energy: -25.156 Base-Backbone interact. energy: -0.074 local terms energy: -64.516595 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -16.434 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -8.339 tors. eta vs tors. theta energy: -10.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -287.785280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.785280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.785280 (E_RNA) where: Base-Base interactions energy: -199.833 where: short stacking energy: -85.960 Base-Backbone interact. energy: -0.609 local terms energy: -87.342762 where: bonds (distance) C4'-P energy: -16.284 bonds (distance) P-C4' energy: -17.850 flat angles C4'-P-C4' energy: -18.182 flat angles P-C4'-P energy: -14.725 tors. eta vs tors. theta energy: -20.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -276.010502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.010502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.010502 (E_RNA) where: Base-Base interactions energy: -199.364 where: short stacking energy: -77.770 Base-Backbone interact. energy: -0.108 local terms energy: -76.538727 where: bonds (distance) C4'-P energy: -17.413 bonds (distance) P-C4' energy: -11.689 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -13.436 tors. eta vs tors. theta energy: -19.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -265.767533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.767533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.767533 (E_RNA) where: Base-Base interactions energy: -189.805 where: short stacking energy: -75.600 Base-Backbone interact. energy: -0.794 local terms energy: -75.168869 where: bonds (distance) C4'-P energy: -17.631 bonds (distance) P-C4' energy: -17.818 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -264.493471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.493471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.493471 (E_RNA) where: Base-Base interactions energy: -190.631 where: short stacking energy: -79.236 Base-Backbone interact. energy: 0.299 local terms energy: -74.162115 where: bonds (distance) C4'-P energy: -15.950 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -18.199 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -16.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -264.771204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.771204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.771204 (E_RNA) where: Base-Base interactions energy: -192.648 where: short stacking energy: -72.342 Base-Backbone interact. energy: -0.279 local terms energy: -71.843466 where: bonds (distance) C4'-P energy: -14.775 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -18.011 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -274.290872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.290872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.290872 (E_RNA) where: Base-Base interactions energy: -194.335 where: short stacking energy: -81.799 Base-Backbone interact. energy: -0.699 local terms energy: -79.257053 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -17.584 flat angles P-C4'-P energy: -13.311 tors. eta vs tors. theta energy: -21.174 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: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -252.830434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.830434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.830434 (E_RNA) where: Base-Base interactions energy: -189.627 where: short stacking energy: -75.525 Base-Backbone interact. energy: -0.692 local terms energy: -62.511516 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -15.560 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -15.702 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: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -195.047308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.047308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.047308 (E_RNA) where: Base-Base interactions energy: -127.160 where: short stacking energy: -66.241 Base-Backbone interact. energy: -0.037 local terms energy: -67.850332 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -14.594 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -15.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -196.399529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.399529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.399529 (E_RNA) where: Base-Base interactions energy: -128.837 where: short stacking energy: -61.337 Base-Backbone interact. energy: -0.141 local terms energy: -67.421952 where: bonds (distance) C4'-P energy: -16.932 bonds (distance) P-C4' energy: -18.495 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -14.275 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: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -106.865821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.865821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.865821 (E_RNA) where: Base-Base interactions energy: -58.085 where: short stacking energy: -32.547 Base-Backbone interact. energy: -0.238 local terms energy: -48.542060 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -7.961 flat angles C4'-P-C4' energy: -14.587 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -287.600643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.600643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.600643 (E_RNA) where: Base-Base interactions energy: -207.259 where: short stacking energy: -88.177 Base-Backbone interact. energy: -0.586 local terms energy: -79.755053 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -16.713 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -12.939 tors. eta vs tors. theta energy: -22.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -280.508782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.508782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.508782 (E_RNA) where: Base-Base interactions energy: -195.187 where: short stacking energy: -83.576 Base-Backbone interact. energy: -1.257 local terms energy: -84.065604 where: bonds (distance) C4'-P energy: -18.960 bonds (distance) P-C4' energy: -15.883 flat angles C4'-P-C4' energy: -17.507 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -20.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -268.044925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.044925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.044925 (E_RNA) where: Base-Base interactions energy: -197.646 where: short stacking energy: -74.094 Base-Backbone interact. energy: 0.194 local terms energy: -70.592890 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -20.275 flat angles P-C4'-P energy: -13.551 tors. eta vs tors. theta energy: -11.449 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: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -267.102620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.102620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.102620 (E_RNA) where: Base-Base interactions energy: -189.561 where: short stacking energy: -70.742 Base-Backbone interact. energy: -1.364 local terms energy: -76.177628 where: bonds (distance) C4'-P energy: -16.708 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -17.159 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -14.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -269.902152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.902152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.902152 (E_RNA) where: Base-Base interactions energy: -189.114 where: short stacking energy: -78.599 Base-Backbone interact. energy: -1.812 local terms energy: -78.976508 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -19.961 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -263.222246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.222246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.222246 (E_RNA) where: Base-Base interactions energy: -191.804 where: short stacking energy: -81.996 Base-Backbone interact. energy: -0.522 local terms energy: -70.896571 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -14.710 flat angles C4'-P-C4' energy: -18.144 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -16.902 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: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -245.423951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.423951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.423951 (E_RNA) where: Base-Base interactions energy: -182.081 where: short stacking energy: -70.442 Base-Backbone interact. energy: -1.489 local terms energy: -61.854526 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -203.596633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.596633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.596633 (E_RNA) where: Base-Base interactions energy: -141.277 where: short stacking energy: -72.599 Base-Backbone interact. energy: -0.030 local terms energy: -62.289718 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -9.674 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -18.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -189.380562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.380562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.380562 (E_RNA) where: Base-Base interactions energy: -121.855 where: short stacking energy: -56.909 Base-Backbone interact. energy: -0.041 local terms energy: -67.484198 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -16.427 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -14.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -106.421623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.421623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.421623 (E_RNA) where: Base-Base interactions energy: -51.177 where: short stacking energy: -30.202 Base-Backbone interact. energy: 0.123 local terms energy: -55.367426 where: bonds (distance) C4'-P energy: -16.753 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -278.788986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.788986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.788986 (E_RNA) where: Base-Base interactions energy: -194.279 where: short stacking energy: -78.557 Base-Backbone interact. energy: -1.607 local terms energy: -82.903754 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -19.028 flat angles C4'-P-C4' energy: -19.056 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -18.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -281.256542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.256542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.256542 (E_RNA) where: Base-Base interactions energy: -202.349 where: short stacking energy: -89.888 Base-Backbone interact. energy: 2.743 local terms energy: -81.650042 where: bonds (distance) C4'-P energy: -15.985 bonds (distance) P-C4' energy: -17.136 flat angles C4'-P-C4' energy: -19.484 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -18.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -278.627976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.627976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.627976 (E_RNA) where: Base-Base interactions energy: -203.721 where: short stacking energy: -81.565 Base-Backbone interact. energy: -0.191 local terms energy: -74.715555 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -16.201 flat angles C4'-P-C4' energy: -15.091 flat angles P-C4'-P energy: -12.737 tors. eta vs tors. theta energy: -16.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -274.858053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.858053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.858053 (E_RNA) where: Base-Base interactions energy: -199.204 where: short stacking energy: -77.685 Base-Backbone interact. energy: -1.233 local terms energy: -74.420860 where: bonds (distance) C4'-P energy: -9.848 bonds (distance) P-C4' energy: -17.082 flat angles C4'-P-C4' energy: -17.723 flat angles P-C4'-P energy: -13.348 tors. eta vs tors. theta energy: -16.420 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: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -264.430872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.430872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.430872 (E_RNA) where: Base-Base interactions energy: -185.973 where: short stacking energy: -76.109 Base-Backbone interact. energy: -0.177 local terms energy: -78.281537 where: bonds (distance) C4'-P energy: -17.929 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -19.984 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -246.811175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.811175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.811175 (E_RNA) where: Base-Base interactions energy: -169.471 where: short stacking energy: -66.327 Base-Backbone interact. energy: -0.046 local terms energy: -77.293866 where: bonds (distance) C4'-P energy: -19.821 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -16.394 flat angles P-C4'-P energy: -12.920 tors. eta vs tors. theta energy: -15.858 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: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -245.826809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.826809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.826809 (E_RNA) where: Base-Base interactions energy: -168.914 where: short stacking energy: -66.561 Base-Backbone interact. energy: 0.045 local terms energy: -76.957595 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -18.136 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -216.067548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.067548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.067548 (E_RNA) where: Base-Base interactions energy: -156.329 where: short stacking energy: -76.031 Base-Backbone interact. energy: -0.233 local terms energy: -59.505781 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -15.113 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: 204 Temperature: 1.300000 Total energy: -210.064464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.064464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.064464 (E_RNA) where: Base-Base interactions energy: -137.509 where: short stacking energy: -55.653 Base-Backbone interact. energy: -0.447 local terms energy: -72.109191 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -18.832 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -16.276 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -136.148164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.148164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.148164 (E_RNA) where: Base-Base interactions energy: -77.141 where: short stacking energy: -49.535 Base-Backbone interact. energy: -0.135 local terms energy: -58.872463 where: bonds (distance) C4'-P energy: -16.364 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -8.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -282.267949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.267949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.267949 (E_RNA) where: Base-Base interactions energy: -202.113 where: short stacking energy: -84.060 Base-Backbone interact. energy: -0.077 local terms energy: -80.078574 where: bonds (distance) C4'-P energy: -16.597 bonds (distance) P-C4' energy: -19.524 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -19.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -273.269051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.269051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.269051 (E_RNA) where: Base-Base interactions energy: -197.810 where: short stacking energy: -77.014 Base-Backbone interact. energy: -0.532 local terms energy: -74.927203 where: bonds (distance) C4'-P energy: -14.799 bonds (distance) P-C4' energy: -18.888 flat angles C4'-P-C4' energy: -16.247 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -14.981 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: 1 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -284.587309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.587309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.587309 (E_RNA) where: Base-Base interactions energy: -198.464 where: short stacking energy: -85.238 Base-Backbone interact. energy: -1.355 local terms energy: -84.768678 where: bonds (distance) C4'-P energy: -18.203 bonds (distance) P-C4' energy: -16.652 flat angles C4'-P-C4' energy: -16.942 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -21.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -269.053068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.053068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.053068 (E_RNA) where: Base-Base interactions energy: -189.216 where: short stacking energy: -77.218 Base-Backbone interact. energy: -1.530 local terms energy: -78.306501 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -17.554 flat angles C4'-P-C4' energy: -16.847 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -18.323 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: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -257.114967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.114967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.114967 (E_RNA) where: Base-Base interactions energy: -186.381 where: short stacking energy: -68.643 Base-Backbone interact. energy: -0.652 local terms energy: -70.081822 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -18.202 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -13.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -254.919928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.919928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.919928 (E_RNA) where: Base-Base interactions energy: -192.547 where: short stacking energy: -82.535 Base-Backbone interact. energy: -0.769 local terms energy: -61.604293 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -8.373 flat angles C4'-P-C4' energy: -15.376 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -247.177826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.177826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.177826 (E_RNA) where: Base-Base interactions energy: -179.218 where: short stacking energy: -70.554 Base-Backbone interact. energy: -0.218 local terms energy: -67.741744 where: bonds (distance) C4'-P energy: -15.045 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -14.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -213.357714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.357714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.357714 (E_RNA) where: Base-Base interactions energy: -146.194 where: short stacking energy: -71.630 Base-Backbone interact. energy: -0.188 local terms energy: -66.974952 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -15.138 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -13.886 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: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -208.661826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.661826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.661826 (E_RNA) where: Base-Base interactions energy: -134.564 where: short stacking energy: -57.610 Base-Backbone interact. energy: -0.136 local terms energy: -73.962449 where: bonds (distance) C4'-P energy: -18.149 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -16.640 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -15.628 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: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -111.064128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.064128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.064128 (E_RNA) where: Base-Base interactions energy: -69.313 where: short stacking energy: -26.900 Base-Backbone interact. energy: -0.136 local terms energy: -41.614359 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -11.311 tors. eta vs tors. theta energy: 1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -284.637435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.637435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.637435 (E_RNA) where: Base-Base interactions energy: -202.734 where: short stacking energy: -77.322 Base-Backbone interact. energy: -0.429 local terms energy: -81.474795 where: bonds (distance) C4'-P energy: -17.123 bonds (distance) P-C4' energy: -19.160 flat angles C4'-P-C4' energy: -16.548 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -17.252 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: 10 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -270.460595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.460595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.460595 (E_RNA) where: Base-Base interactions energy: -197.856 where: short stacking energy: -80.968 Base-Backbone interact. energy: -1.175 local terms energy: -71.429327 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -17.769 flat angles C4'-P-C4' energy: -13.823 flat angles P-C4'-P energy: -10.050 tors. eta vs tors. theta energy: -18.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -270.779850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.779850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.779850 (E_RNA) where: Base-Base interactions energy: -195.965 where: short stacking energy: -78.399 Base-Backbone interact. energy: -0.241 local terms energy: -74.574723 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -278.775487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.775487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.775487 (E_RNA) where: Base-Base interactions energy: -194.187 where: short stacking energy: -78.512 Base-Backbone interact. energy: -0.056 local terms energy: -84.532679 where: bonds (distance) C4'-P energy: -18.095 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -14.075 tors. eta vs tors. theta energy: -18.616 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: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -260.498735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.498735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.498735 (E_RNA) where: Base-Base interactions energy: -182.636 where: short stacking energy: -78.495 Base-Backbone interact. energy: -0.124 local terms energy: -77.738437 where: bonds (distance) C4'-P energy: -16.693 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -13.464 tors. eta vs tors. theta energy: -20.284 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: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -254.256648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.256648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.256648 (E_RNA) where: Base-Base interactions energy: -184.776 where: short stacking energy: -71.439 Base-Backbone interact. energy: -0.459 local terms energy: -69.021470 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -12.086 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: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -248.896411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.896411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.896411 (E_RNA) where: Base-Base interactions energy: -185.373 where: short stacking energy: -91.491 Base-Backbone interact. energy: -0.121 local terms energy: -63.402471 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -9.973 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -16.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -210.401939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.401939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.401939 (E_RNA) where: Base-Base interactions energy: -140.063 where: short stacking energy: -65.015 Base-Backbone interact. energy: -0.099 local terms energy: -70.239496 where: bonds (distance) C4'-P energy: -16.136 bonds (distance) P-C4' energy: -13.351 flat angles C4'-P-C4' energy: -17.273 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -16.349 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: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -205.591458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.591458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.591458 (E_RNA) where: Base-Base interactions energy: -133.700 where: short stacking energy: -62.499 Base-Backbone interact. energy: -0.438 local terms energy: -71.453473 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -16.935 flat angles C4'-P-C4' energy: -19.467 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -12.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -112.216748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.216748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.216748 (E_RNA) where: Base-Base interactions energy: -70.445 where: short stacking energy: -45.037 Base-Backbone interact. energy: -0.261 local terms energy: -41.511302 where: bonds (distance) C4'-P energy: -8.143 bonds (distance) P-C4' energy: -10.236 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -7.216 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: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -282.546497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.546497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.546497 (E_RNA) where: Base-Base interactions energy: -204.573 where: short stacking energy: -77.151 Base-Backbone interact. energy: -0.937 local terms energy: -77.036066 where: bonds (distance) C4'-P energy: -18.684 bonds (distance) P-C4' energy: -19.719 flat angles C4'-P-C4' energy: -11.898 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -14.739 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: 2, replica: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -278.360096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.360096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.360096 (E_RNA) where: Base-Base interactions energy: -200.347 where: short stacking energy: -83.906 Base-Backbone interact. energy: -0.316 local terms energy: -77.696559 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -17.253 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -17.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -272.139571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.139571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.139571 (E_RNA) where: Base-Base interactions energy: -197.420 where: short stacking energy: -78.281 Base-Backbone interact. energy: -0.104 local terms energy: -74.615493 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -15.232 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -13.130 tors. eta vs tors. theta energy: -18.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -273.760249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.760249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.760249 (E_RNA) where: Base-Base interactions energy: -197.541 where: short stacking energy: -77.852 Base-Backbone interact. energy: -0.138 local terms energy: -76.080792 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -17.022 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -20.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -266.401304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.401304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.401304 (E_RNA) where: Base-Base interactions energy: -190.091 where: short stacking energy: -77.496 Base-Backbone interact. energy: 2.194 local terms energy: -78.503927 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -18.418 flat angles C4'-P-C4' energy: -18.471 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -17.233 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: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -251.875447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.875447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.875447 (E_RNA) where: Base-Base interactions energy: -184.932 where: short stacking energy: -75.872 Base-Backbone interact. energy: -0.554 local terms energy: -66.389958 where: bonds (distance) C4'-P energy: -16.565 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -15.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -250.522048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.522048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.522048 (E_RNA) where: Base-Base interactions energy: -187.193 where: short stacking energy: -73.254 Base-Backbone interact. energy: -0.278 local terms energy: -63.051012 where: bonds (distance) C4'-P energy: -15.362 bonds (distance) P-C4' energy: -8.169 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -17.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -204.626869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.626869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.626869 (E_RNA) where: Base-Base interactions energy: -143.637 where: short stacking energy: -67.854 Base-Backbone interact. energy: -0.099 local terms energy: -60.891132 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -12.248 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -6.923 tors. eta vs tors. theta energy: -14.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -201.962585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.962585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.962585 (E_RNA) where: Base-Base interactions energy: -137.296 where: short stacking energy: -67.290 Base-Backbone interact. energy: -0.126 local terms energy: -64.540479 where: bonds (distance) C4'-P energy: -17.748 bonds (distance) P-C4' energy: -11.017 flat angles C4'-P-C4' energy: -14.356 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -11.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -97.300131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.300131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.300131 (E_RNA) where: Base-Base interactions energy: -55.272 where: short stacking energy: -32.843 Base-Backbone interact. energy: -0.379 local terms energy: -41.650025 where: bonds (distance) C4'-P energy: -15.625 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -2.347 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -282.496368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.496368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.496368 (E_RNA) where: Base-Base interactions energy: -197.517 where: short stacking energy: -82.642 Base-Backbone interact. energy: -0.099 local terms energy: -84.880686 where: bonds (distance) C4'-P energy: -17.842 bonds (distance) P-C4' energy: -17.389 flat angles C4'-P-C4' energy: -18.742 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -20.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -280.226438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.226438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.226438 (E_RNA) where: Base-Base interactions energy: -199.614 where: short stacking energy: -79.637 Base-Backbone interact. energy: -1.132 local terms energy: -79.479667 where: bonds (distance) C4'-P energy: -17.202 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -11.842 tors. eta vs tors. theta energy: -17.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -279.518965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.518965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.518965 (E_RNA) where: Base-Base interactions energy: -202.444 where: short stacking energy: -84.312 Base-Backbone interact. energy: -1.104 local terms energy: -75.970961 where: bonds (distance) C4'-P energy: -13.840 bonds (distance) P-C4' energy: -16.120 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: -18.228 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -263.800854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.800854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.800854 (E_RNA) where: Base-Base interactions energy: -184.824 where: short stacking energy: -77.269 Base-Backbone interact. energy: 1.811 local terms energy: -80.787751 where: bonds (distance) C4'-P energy: -17.689 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -19.240 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -17.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -275.053564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.053564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.053564 (E_RNA) where: Base-Base interactions energy: -197.745 where: short stacking energy: -87.580 Base-Backbone interact. energy: -1.836 local terms energy: -75.472899 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -16.116 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -19.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -249.672132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.672132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.672132 (E_RNA) where: Base-Base interactions energy: -180.647 where: short stacking energy: -73.707 Base-Backbone interact. energy: -0.187 local terms energy: -68.838225 where: bonds (distance) C4'-P energy: -17.204 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -19.852 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -12.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -266.430248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.430248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.430248 (E_RNA) where: Base-Base interactions energy: -194.660 where: short stacking energy: -76.091 Base-Backbone interact. energy: -0.636 local terms energy: -71.134267 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -13.975 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -11.870 tors. eta vs tors. theta energy: -18.515 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: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -204.622312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.622312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.622312 (E_RNA) where: Base-Base interactions energy: -138.957 where: short stacking energy: -62.295 Base-Backbone interact. energy: -0.122 local terms energy: -65.543482 where: bonds (distance) C4'-P energy: -10.075 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -7.748 tors. eta vs tors. theta energy: -16.867 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: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -197.487897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.487897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.487897 (E_RNA) where: Base-Base interactions energy: -124.410 where: short stacking energy: -65.966 Base-Backbone interact. energy: -0.004 local terms energy: -73.073948 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -18.649 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -17.283 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: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -106.413279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.413279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.413279 (E_RNA) where: Base-Base interactions energy: -51.001 where: short stacking energy: -51.001 Base-Backbone interact. energy: -0.038 local terms energy: -55.374849 where: bonds (distance) C4'-P energy: -15.558 bonds (distance) P-C4' energy: -12.344 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -11.828 tors. eta vs tors. theta energy: -10.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -289.341853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.341853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.341853 (E_RNA) where: Base-Base interactions energy: -205.782 where: short stacking energy: -86.015 Base-Backbone interact. energy: -0.088 local terms energy: -83.471933 where: bonds (distance) C4'-P energy: -15.268 bonds (distance) P-C4' energy: -18.278 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -13.146 tors. eta vs tors. theta energy: -19.159 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: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -278.305128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.305128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.305128 (E_RNA) where: Base-Base interactions energy: -196.290 where: short stacking energy: -80.266 Base-Backbone interact. energy: -0.939 local terms energy: -81.076343 where: bonds (distance) C4'-P energy: -18.402 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -18.354 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -19.098 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: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -272.362347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.362347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.362347 (E_RNA) where: Base-Base interactions energy: -199.376 where: short stacking energy: -78.596 Base-Backbone interact. energy: -0.799 local terms energy: -72.187236 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -19.190 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -270.529448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.529448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.529448 (E_RNA) where: Base-Base interactions energy: -191.391 where: short stacking energy: -81.564 Base-Backbone interact. energy: -0.124 local terms energy: -79.015178 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -19.263 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -18.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -269.594958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.594958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.594958 (E_RNA) where: Base-Base interactions energy: -191.263 where: short stacking energy: -80.307 Base-Backbone interact. energy: -0.141 local terms energy: -78.191499 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -18.291 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -18.791 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: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -252.162784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.162784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.162784 (E_RNA) where: Base-Base interactions energy: -175.007 where: short stacking energy: -68.172 Base-Backbone interact. energy: 0.197 local terms energy: -77.352764 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -17.418 flat angles P-C4'-P energy: -10.621 tors. eta vs tors. theta energy: -15.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -235.685444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.685444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.685444 (E_RNA) where: Base-Base interactions energy: -183.724 where: short stacking energy: -68.508 Base-Backbone interact. energy: 0.032 local terms energy: -51.993033 where: bonds (distance) C4'-P energy: -2.863 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -14.592 flat angles P-C4'-P energy: -7.296 tors. eta vs tors. theta energy: -11.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -202.161054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.161054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.161054 (E_RNA) where: Base-Base interactions energy: -138.283 where: short stacking energy: -55.773 Base-Backbone interact. energy: 0.201 local terms energy: -64.078504 where: bonds (distance) C4'-P energy: -14.191 bonds (distance) P-C4' energy: -16.158 flat angles C4'-P-C4' energy: -15.746 flat angles P-C4'-P energy: -9.097 tors. eta vs tors. theta energy: -8.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -191.976267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.976267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.976267 (E_RNA) where: Base-Base interactions energy: -129.077 where: short stacking energy: -48.629 Base-Backbone interact. energy: -0.130 local terms energy: -62.769424 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -17.942 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -14.972 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: 209 Temperature: 1.350000 Total energy: -105.511617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.511617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.511617 (E_RNA) where: Base-Base interactions energy: -59.481 where: short stacking energy: -31.350 Base-Backbone interact. energy: 1.319 local terms energy: -47.349225 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -17.204 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -291.021600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.021600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.021600 (E_RNA) where: Base-Base interactions energy: -208.944 where: short stacking energy: -88.537 Base-Backbone interact. energy: -0.842 local terms energy: -81.236196 where: bonds (distance) C4'-P energy: -17.485 bonds (distance) P-C4' energy: -15.696 flat angles C4'-P-C4' energy: -17.324 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -21.149 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: 210 Temperature: 0.950000 Total energy: -281.663858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.663858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.663858 (E_RNA) where: Base-Base interactions energy: -200.970 where: short stacking energy: -84.746 Base-Backbone interact. energy: -0.082 local terms energy: -80.612239 where: bonds (distance) C4'-P energy: -17.154 bonds (distance) P-C4' energy: -16.127 flat angles C4'-P-C4' energy: -17.257 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -18.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -272.418892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.418892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.418892 (E_RNA) where: Base-Base interactions energy: -197.828 where: short stacking energy: -78.163 Base-Backbone interact. energy: -0.582 local terms energy: -74.008336 where: bonds (distance) C4'-P energy: -18.997 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -15.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -279.862835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.862835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.862835 (E_RNA) where: Base-Base interactions energy: -207.122 where: short stacking energy: -87.943 Base-Backbone interact. energy: 0.098 local terms energy: -72.838267 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -16.710 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -267.597133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.597133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.597133 (E_RNA) where: Base-Base interactions energy: -191.376 where: short stacking energy: -84.171 Base-Backbone interact. energy: -0.368 local terms energy: -75.853146 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -11.585 tors. eta vs tors. theta energy: -19.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -265.239670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.239670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.239670 (E_RNA) where: Base-Base interactions energy: -192.692 where: short stacking energy: -81.312 Base-Backbone interact. energy: -0.719 local terms energy: -71.829025 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -9.906 flat angles C4'-P-C4' energy: -17.572 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -18.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -240.708607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.708607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.708607 (E_RNA) where: Base-Base interactions energy: -174.801 where: short stacking energy: -61.872 Base-Backbone interact. energy: -0.107 local terms energy: -65.800530 where: bonds (distance) C4'-P energy: -14.187 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -14.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -198.857861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.857861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.857861 (E_RNA) where: Base-Base interactions energy: -139.420 where: short stacking energy: -62.623 Base-Backbone interact. energy: -0.149 local terms energy: -59.289088 where: bonds (distance) C4'-P energy: -17.226 bonds (distance) P-C4' energy: -8.104 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -108.115126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.115126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.115126 (E_RNA) where: Base-Base interactions energy: -52.480 where: short stacking energy: -34.886 Base-Backbone interact. energy: 2.098 local terms energy: -57.732374 where: bonds (distance) C4'-P energy: -16.038 bonds (distance) P-C4' energy: -16.187 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -10.523 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: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -198.542699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.542699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.542699 (E_RNA) where: Base-Base interactions energy: -136.446 where: short stacking energy: -56.212 Base-Backbone interact. energy: -0.088 local terms energy: -62.008495 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -10.602 flat angles C4'-P-C4' energy: -17.109 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -13.342 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: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -283.707870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.707870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.707870 (E_RNA) where: Base-Base interactions energy: -198.158 where: short stacking energy: -80.402 Base-Backbone interact. energy: -0.783 local terms energy: -84.766102 where: bonds (distance) C4'-P energy: -19.371 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -16.754 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -18.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -271.414352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.414352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.414352 (E_RNA) where: Base-Base interactions energy: -197.341 where: short stacking energy: -77.893 Base-Backbone interact. energy: -0.231 local terms energy: -73.842869 where: bonds (distance) C4'-P energy: -15.730 bonds (distance) P-C4' energy: -14.605 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -12.324 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -269.678680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.678680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.678680 (E_RNA) where: Base-Base interactions energy: -189.861 where: short stacking energy: -76.618 Base-Backbone interact. energy: 1.361 local terms energy: -81.178227 where: bonds (distance) C4'-P energy: -17.950 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -18.917 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -19.641 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: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -271.758662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.758662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.758662 (E_RNA) where: Base-Base interactions energy: -201.066 where: short stacking energy: -84.603 Base-Backbone interact. energy: -0.949 local terms energy: -69.743396 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -18.612 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -266.730533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.730533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.730533 (E_RNA) where: Base-Base interactions energy: -198.940 where: short stacking energy: -81.879 Base-Backbone interact. energy: -0.072 local terms energy: -67.718687 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -16.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -210.608831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.608831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.608831 (E_RNA) where: Base-Base interactions energy: -145.915 where: short stacking energy: -63.484 Base-Backbone interact. energy: -0.272 local terms energy: -64.422490 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -12.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -265.834538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.834538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.834538 (E_RNA) where: Base-Base interactions energy: -181.750 where: short stacking energy: -73.926 Base-Backbone interact. energy: -0.096 local terms energy: -83.988738 where: bonds (distance) C4'-P energy: -16.199 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -20.176 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -22.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -125.701870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.701870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.701870 (E_RNA) where: Base-Base interactions energy: -67.533 where: short stacking energy: -40.449 Base-Backbone interact. energy: -0.560 local terms energy: -57.608593 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -195.191679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.191679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.191679 (E_RNA) where: Base-Base interactions energy: -135.499 where: short stacking energy: -62.164 Base-Backbone interact. energy: -0.091 local terms energy: -59.601492 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -10.626 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: 211 Temperature: 1.350000 Total energy: -182.595938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.595938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.595938 (E_RNA) where: Base-Base interactions energy: -115.877 where: short stacking energy: -50.015 Base-Backbone interact. energy: -0.179 local terms energy: -66.540392 where: bonds (distance) C4'-P energy: -15.822 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -6.290 tors. eta vs tors. theta energy: -14.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -279.042087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.042087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.042087 (E_RNA) where: Base-Base interactions energy: -201.713 where: short stacking energy: -77.005 Base-Backbone interact. energy: -0.214 local terms energy: -77.114815 where: bonds (distance) C4'-P energy: -16.144 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -18.877 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -15.098 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: 2, replica: 8 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -283.378029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.378029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.378029 (E_RNA) where: Base-Base interactions energy: -201.590 where: short stacking energy: -86.417 Base-Backbone interact. energy: -1.293 local terms energy: -80.495048 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -16.266 flat angles P-C4'-P energy: -14.266 tors. eta vs tors. theta energy: -19.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -274.959786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.959786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.959786 (E_RNA) where: Base-Base interactions energy: -193.923 where: short stacking energy: -80.447 Base-Backbone interact. energy: -0.681 local terms energy: -80.355042 where: bonds (distance) C4'-P energy: -18.097 bonds (distance) P-C4' energy: -17.347 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -19.446 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: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -267.549258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.549258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.549258 (E_RNA) where: Base-Base interactions energy: -190.064 where: short stacking energy: -78.072 Base-Backbone interact. energy: -0.560 local terms energy: -76.924607 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -16.991 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -12.808 tors. eta vs tors. theta energy: -19.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -268.122204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.122204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.122204 (E_RNA) where: Base-Base interactions energy: -190.911 where: short stacking energy: -78.542 Base-Backbone interact. energy: -0.105 local terms energy: -77.105968 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -17.185 flat angles C4'-P-C4' energy: -18.253 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -16.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -220.968499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.968499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.968499 (E_RNA) where: Base-Base interactions energy: -150.776 where: short stacking energy: -75.094 Base-Backbone interact. energy: -0.331 local terms energy: -69.861322 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -18.540 flat angles C4'-P-C4' energy: -16.173 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -12.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -258.176000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.176000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.176000 (E_RNA) where: Base-Base interactions energy: -190.167 where: short stacking energy: -87.519 Base-Backbone interact. energy: -0.067 local terms energy: -67.942255 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -16.882 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -14.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -120.348865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.348865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.348865 (E_RNA) where: Base-Base interactions energy: -59.932 where: short stacking energy: -36.378 Base-Backbone interact. energy: -0.203 local terms energy: -60.213427 where: bonds (distance) C4'-P energy: -12.509 bonds (distance) P-C4' energy: -18.010 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -6.938 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: 212 Temperature: 1.300000 Total energy: -201.823693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.823693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.823693 (E_RNA) where: Base-Base interactions energy: -140.255 where: short stacking energy: -68.449 Base-Backbone interact. energy: -0.058 local terms energy: -61.510308 where: bonds (distance) C4'-P energy: -15.771 bonds (distance) P-C4' energy: -4.279 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -17.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -171.953547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.953547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.953547 (E_RNA) where: Base-Base interactions energy: -113.190 where: short stacking energy: -52.227 Base-Backbone interact. energy: -0.115 local terms energy: -58.648682 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -17.348 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -11.811 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -277.630700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.630700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.630700 (E_RNA) where: Base-Base interactions energy: -199.135 where: short stacking energy: -81.623 Base-Backbone interact. energy: -0.656 local terms energy: -77.839950 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -17.184 flat angles P-C4'-P energy: -14.337 tors. eta vs tors. theta energy: -14.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -281.222722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.222722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.222722 (E_RNA) where: Base-Base interactions energy: -196.615 where: short stacking energy: -84.119 Base-Backbone interact. energy: -0.337 local terms energy: -84.270145 where: bonds (distance) C4'-P energy: -17.821 bonds (distance) P-C4' energy: -17.121 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -13.691 tors. eta vs tors. theta energy: -18.901 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: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -280.164332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.164332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.164332 (E_RNA) where: Base-Base interactions energy: -205.386 where: short stacking energy: -87.733 Base-Backbone interact. energy: -0.204 local terms energy: -74.574143 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -16.074 flat angles C4'-P-C4' energy: -16.713 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -21.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -271.060546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.060546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.060546 (E_RNA) where: Base-Base interactions energy: -195.919 where: short stacking energy: -81.521 Base-Backbone interact. energy: -0.174 local terms energy: -74.967029 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -18.105 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -16.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -267.638592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.638592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.638592 (E_RNA) where: Base-Base interactions energy: -188.604 where: short stacking energy: -76.094 Base-Backbone interact. energy: -0.344 local terms energy: -78.689914 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -16.250 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -20.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -264.820492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.820492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.820492 (E_RNA) where: Base-Base interactions energy: -193.849 where: short stacking energy: -81.935 Base-Backbone interact. energy: -0.057 local terms energy: -70.914339 where: bonds (distance) C4'-P energy: -17.252 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -15.941 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -16.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -210.448862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.448862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.448862 (E_RNA) where: Base-Base interactions energy: -144.121 where: short stacking energy: -65.255 Base-Backbone interact. energy: -0.483 local terms energy: -65.844948 where: bonds (distance) C4'-P energy: -15.428 bonds (distance) P-C4' energy: -17.339 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -11.256 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -206.555686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.555686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.555686 (E_RNA) where: Base-Base interactions energy: -140.723 where: short stacking energy: -69.267 Base-Backbone interact. energy: -0.008 local terms energy: -65.824687 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -10.031 flat angles C4'-P-C4' energy: -18.268 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -14.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -93.726083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.726083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.726083 (E_RNA) where: Base-Base interactions energy: -45.413 where: short stacking energy: -36.347 Base-Backbone interact. energy: -0.467 local terms energy: -47.846157 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -18.934 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -3.090 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: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -156.800001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.800001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.800001 (E_RNA) where: Base-Base interactions energy: -96.587 where: short stacking energy: -50.026 Base-Backbone interact. energy: -0.188 local terms energy: -60.024995 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -9.921 flat angles C4'-P-C4' energy: -17.458 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -12.012 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: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -277.135023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.135023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.135023 (E_RNA) where: Base-Base interactions energy: -193.658 where: short stacking energy: -80.037 Base-Backbone interact. energy: -0.945 local terms energy: -82.531463 where: bonds (distance) C4'-P energy: -17.333 bonds (distance) P-C4' energy: -17.758 flat angles C4'-P-C4' energy: -18.069 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -20.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -277.442973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.442973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.442973 (E_RNA) where: Base-Base interactions energy: -199.695 where: short stacking energy: -77.886 Base-Backbone interact. energy: -1.470 local terms energy: -76.277807 where: bonds (distance) C4'-P energy: -14.982 bonds (distance) P-C4' energy: -18.985 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -12.882 tors. eta vs tors. theta energy: -14.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -279.481319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.481319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.481319 (E_RNA) where: Base-Base interactions energy: -193.857 where: short stacking energy: -80.460 Base-Backbone interact. energy: -0.757 local terms energy: -84.867415 where: bonds (distance) C4'-P energy: -18.997 bonds (distance) P-C4' energy: -18.038 flat angles C4'-P-C4' energy: -19.253 flat angles P-C4'-P energy: -11.431 tors. eta vs tors. theta energy: -17.148 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: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -275.856743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.856743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.856743 (E_RNA) where: Base-Base interactions energy: -200.406 where: short stacking energy: -85.552 Base-Backbone interact. energy: -0.551 local terms energy: -74.898873 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -16.924 flat angles P-C4'-P energy: -11.277 tors. eta vs tors. theta energy: -19.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -265.568280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.568280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.568280 (E_RNA) where: Base-Base interactions energy: -188.348 where: short stacking energy: -78.590 Base-Backbone interact. energy: -0.416 local terms energy: -76.804508 where: bonds (distance) C4'-P energy: -17.185 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -16.189 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -16.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -266.409280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.409280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.409280 (E_RNA) where: Base-Base interactions energy: -191.177 where: short stacking energy: -85.368 Base-Backbone interact. energy: -1.477 local terms energy: -73.755390 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -16.927 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -11.483 tors. eta vs tors. theta energy: -16.346 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: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -222.275729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.275729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.275729 (E_RNA) where: Base-Base interactions energy: -152.383 where: short stacking energy: -73.662 Base-Backbone interact. energy: -0.043 local terms energy: -69.849719 where: bonds (distance) C4'-P energy: -16.787 bonds (distance) P-C4' energy: -16.566 flat angles C4'-P-C4' energy: -16.340 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -15.950 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: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -201.454452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.454452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.454452 (E_RNA) where: Base-Base interactions energy: -142.740 where: short stacking energy: -61.139 Base-Backbone interact. energy: -0.034 local terms energy: -58.680134 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -16.110 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -11.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -187.875112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.875112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.875112 (E_RNA) where: Base-Base interactions energy: -130.498 where: short stacking energy: -64.748 Base-Backbone interact. energy: -0.010 local terms energy: -57.367342 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -17.109 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: 214 Temperature: 1.350000 Total energy: -102.282315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.282315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.282315 (E_RNA) where: Base-Base interactions energy: -45.207 where: short stacking energy: -27.879 Base-Backbone interact. energy: -0.190 local terms energy: -56.885305 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -16.031 flat angles P-C4'-P energy: -8.031 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: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -284.806067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.806067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.806067 (E_RNA) where: Base-Base interactions energy: -203.704 where: short stacking energy: -88.413 Base-Backbone interact. energy: -0.576 local terms energy: -80.525436 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -18.241 flat angles C4'-P-C4' energy: -18.717 flat angles P-C4'-P energy: -10.743 tors. eta vs tors. theta energy: -16.762 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: 1 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -289.185802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.185802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.185802 (E_RNA) where: Base-Base interactions energy: -204.825 where: short stacking energy: -91.105 Base-Backbone interact. energy: -0.117 local terms energy: -84.244213 where: bonds (distance) C4'-P energy: -16.924 bonds (distance) P-C4' energy: -17.483 flat angles C4'-P-C4' energy: -19.968 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -18.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -265.173835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.173835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.173835 (E_RNA) where: Base-Base interactions energy: -191.059 where: short stacking energy: -80.225 Base-Backbone interact. energy: -0.532 local terms energy: -73.582429 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -17.613 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -14.054 tors. eta vs tors. theta energy: -16.643 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -270.813451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.813451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.813451 (E_RNA) where: Base-Base interactions energy: -195.821 where: short stacking energy: -80.413 Base-Backbone interact. energy: -0.084 local terms energy: -74.908042 where: bonds (distance) C4'-P energy: -8.876 bonds (distance) P-C4' energy: -18.167 flat angles C4'-P-C4' energy: -17.135 flat angles P-C4'-P energy: -10.566 tors. eta vs tors. theta energy: -20.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -261.997058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.997058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.997058 (E_RNA) where: Base-Base interactions energy: -185.633 where: short stacking energy: -76.102 Base-Backbone interact. energy: -0.453 local terms energy: -75.911443 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -16.642 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -19.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -266.946110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.946110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.946110 (E_RNA) where: Base-Base interactions energy: -189.279 where: short stacking energy: -83.158 Base-Backbone interact. energy: -0.325 local terms energy: -77.341710 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -16.391 flat angles C4'-P-C4' energy: -17.151 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -21.764 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: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -219.237470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.237470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.237470 (E_RNA) where: Base-Base interactions energy: -149.211 where: short stacking energy: -75.434 Base-Backbone interact. energy: -0.000 local terms energy: -70.025748 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -19.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -211.044014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.044014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.044014 (E_RNA) where: Base-Base interactions energy: -140.811 where: short stacking energy: -71.613 Base-Backbone interact. energy: -0.071 local terms energy: -70.162040 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -16.247 flat angles P-C4'-P energy: -12.310 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -206.384827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.384827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.384827 (E_RNA) where: Base-Base interactions energy: -143.937 where: short stacking energy: -64.516 Base-Backbone interact. energy: -0.111 local terms energy: -62.337416 where: bonds (distance) C4'-P energy: -12.523 bonds (distance) P-C4' energy: -17.520 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -10.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -113.231413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.231413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.231413 (E_RNA) where: Base-Base interactions energy: -51.559 where: short stacking energy: -51.520 Base-Backbone interact. energy: -0.167 local terms energy: -61.505501 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -14.524 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -288.695460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.695460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.695460 (E_RNA) where: Base-Base interactions energy: -208.643 where: short stacking energy: -88.124 Base-Backbone interact. energy: -1.725 local terms energy: -78.327871 where: bonds (distance) C4'-P energy: -17.565 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -282.051661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.051661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.051661 (E_RNA) where: Base-Base interactions energy: -201.132 where: short stacking energy: -87.059 Base-Backbone interact. energy: -0.636 local terms energy: -80.282939 where: bonds (distance) C4'-P energy: -16.986 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -12.235 tors. eta vs tors. theta energy: -20.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -270.416241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.416241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.416241 (E_RNA) where: Base-Base interactions energy: -189.861 where: short stacking energy: -74.111 Base-Backbone interact. energy: -0.342 local terms energy: -80.213776 where: bonds (distance) C4'-P energy: -18.352 bonds (distance) P-C4' energy: -18.234 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -11.999 tors. eta vs tors. theta energy: -18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -268.537617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.537617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.537617 (E_RNA) where: Base-Base interactions energy: -188.365 where: short stacking energy: -67.688 Base-Backbone interact. energy: -1.644 local terms energy: -78.528596 where: bonds (distance) C4'-P energy: -16.298 bonds (distance) P-C4' energy: -19.489 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -15.428 tors. eta vs tors. theta energy: -11.705 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: 8 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -269.059373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.059373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.059373 (E_RNA) where: Base-Base interactions energy: -183.523 where: short stacking energy: -67.170 Base-Backbone interact. energy: -1.308 local terms energy: -84.228502 where: bonds (distance) C4'-P energy: -17.164 bonds (distance) P-C4' energy: -18.831 flat angles C4'-P-C4' energy: -17.180 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -19.741 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: 216 Temperature: 1.150000 Total energy: -252.047728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.047728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.047728 (E_RNA) where: Base-Base interactions energy: -186.434 where: short stacking energy: -73.746 Base-Backbone interact. energy: -0.187 local terms energy: -65.426318 where: bonds (distance) C4'-P energy: -16.548 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -16.771 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -13.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -199.572577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.572577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.572577 (E_RNA) where: Base-Base interactions energy: -132.553 where: short stacking energy: -55.922 Base-Backbone interact. energy: -0.393 local terms energy: -66.626301 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -16.773 flat angles C4'-P-C4' energy: -11.336 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -10.575 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: 7 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -203.078938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.078938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.078938 (E_RNA) where: Base-Base interactions energy: -133.423 where: short stacking energy: -68.338 Base-Backbone interact. energy: -0.039 local terms energy: -69.617790 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -16.021 flat angles C4'-P-C4' energy: -20.556 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -16.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -196.887711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.887711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.887711 (E_RNA) where: Base-Base interactions energy: -129.644 where: short stacking energy: -53.673 Base-Backbone interact. energy: -0.194 local terms energy: -67.049942 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -15.673 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: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -122.775797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.775797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.775797 (E_RNA) where: Base-Base interactions energy: -70.888 where: short stacking energy: -33.058 Base-Backbone interact. energy: -0.177 local terms energy: -51.710207 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -15.354 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -285.384245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.384245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.384245 (E_RNA) where: Base-Base interactions energy: -205.540 where: short stacking energy: -89.253 Base-Backbone interact. energy: 0.643 local terms energy: -80.487138 where: bonds (distance) C4'-P energy: -16.381 bonds (distance) P-C4' energy: -16.621 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -14.043 tors. eta vs tors. theta energy: -18.055 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: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -277.432497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.432497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.432497 (E_RNA) where: Base-Base interactions energy: -199.412 where: short stacking energy: -89.192 Base-Backbone interact. energy: -0.108 local terms energy: -77.912733 where: bonds (distance) C4'-P energy: -15.247 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -20.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -277.626441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.626441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.626441 (E_RNA) where: Base-Base interactions energy: -195.248 where: short stacking energy: -81.484 Base-Backbone interact. energy: -0.484 local terms energy: -81.894873 where: bonds (distance) C4'-P energy: -17.591 bonds (distance) P-C4' energy: -17.854 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -20.231 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -284.733734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.733734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.733734 (E_RNA) where: Base-Base interactions energy: -200.249 where: short stacking energy: -81.260 Base-Backbone interact. energy: -0.180 local terms energy: -84.304981 where: bonds (distance) C4'-P energy: -17.238 bonds (distance) P-C4' energy: -17.791 flat angles C4'-P-C4' energy: -17.127 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -22.544 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: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -261.015227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.015227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.015227 (E_RNA) where: Base-Base interactions energy: -193.084 where: short stacking energy: -71.879 Base-Backbone interact. energy: 0.240 local terms energy: -68.171103 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -9.985 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -12.991 tors. eta vs tors. theta energy: -14.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -265.301827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.301827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.301827 (E_RNA) where: Base-Base interactions energy: -195.434 where: short stacking energy: -79.455 Base-Backbone interact. energy: -1.105 local terms energy: -68.762818 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -17.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -203.960042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.960042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.960042 (E_RNA) where: Base-Base interactions energy: -135.814 where: short stacking energy: -54.436 Base-Backbone interact. energy: -0.224 local terms energy: -67.922947 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -16.762 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -11.957 tors. eta vs tors. theta energy: -13.058 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: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -208.571100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.571100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.571100 (E_RNA) where: Base-Base interactions energy: -137.692 where: short stacking energy: -59.655 Base-Backbone interact. energy: 0.603 local terms energy: -71.482142 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -16.840 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -15.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -206.970585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.970585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.970585 (E_RNA) where: Base-Base interactions energy: -137.241 where: short stacking energy: -70.407 Base-Backbone interact. energy: -0.022 local terms energy: -69.707192 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -17.649 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -12.844 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: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -130.362771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.362771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.362771 (E_RNA) where: Base-Base interactions energy: -76.058 where: short stacking energy: -38.547 Base-Backbone interact. energy: -0.454 local terms energy: -53.850465 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -16.882 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -7.655 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: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -286.179702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.179702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.179702 (E_RNA) where: Base-Base interactions energy: -201.541 where: short stacking energy: -85.430 Base-Backbone interact. energy: -1.298 local terms energy: -83.340506 where: bonds (distance) C4'-P energy: -18.082 bonds (distance) P-C4' energy: -15.267 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -14.516 tors. eta vs tors. theta energy: -18.476 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: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -268.888715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.888715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.888715 (E_RNA) where: Base-Base interactions energy: -191.802 where: short stacking energy: -78.948 Base-Backbone interact. energy: -0.300 local terms energy: -76.787081 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -12.306 tors. eta vs tors. theta energy: -17.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -281.612888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.612888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.612888 (E_RNA) where: Base-Base interactions energy: -195.594 where: short stacking energy: -80.652 Base-Backbone interact. energy: -0.954 local terms energy: -85.064534 where: bonds (distance) C4'-P energy: -17.020 bonds (distance) P-C4' energy: -17.364 flat angles C4'-P-C4' energy: -20.332 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -22.193 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: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -276.612457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.612457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.612457 (E_RNA) where: Base-Base interactions energy: -198.431 where: short stacking energy: -81.605 Base-Backbone interact. energy: 0.244 local terms energy: -78.424678 where: bonds (distance) C4'-P energy: -18.249 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -17.702 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -20.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -271.214682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.214682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.214682 (E_RNA) where: Base-Base interactions energy: -190.577 where: short stacking energy: -81.243 Base-Backbone interact. energy: -1.113 local terms energy: -79.524964 where: bonds (distance) C4'-P energy: -19.092 bonds (distance) P-C4' energy: -14.749 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -12.203 tors. eta vs tors. theta energy: -18.294 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: 218 Temperature: 1.150000 Total energy: -260.922481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.922481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.922481 (E_RNA) where: Base-Base interactions energy: -193.383 where: short stacking energy: -69.084 Base-Backbone interact. energy: -0.197 local terms energy: -67.342459 where: bonds (distance) C4'-P energy: -11.393 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -12.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -210.464418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.464418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.464418 (E_RNA) where: Base-Base interactions energy: -139.467 where: short stacking energy: -71.732 Base-Backbone interact. energy: -0.004 local terms energy: -70.993590 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -19.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -207.089652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.089652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.089652 (E_RNA) where: Base-Base interactions energy: -144.530 where: short stacking energy: -71.631 Base-Backbone interact. energy: -0.390 local terms energy: -62.169714 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -10.180 flat angles C4'-P-C4' energy: -15.405 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -16.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -211.241850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.241850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.241850 (E_RNA) where: Base-Base interactions energy: -139.923 where: short stacking energy: -68.445 Base-Backbone interact. energy: -0.073 local terms energy: -71.245009 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -18.338 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -15.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -109.171761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.171761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.171761 (E_RNA) where: Base-Base interactions energy: -52.652 where: short stacking energy: -39.618 Base-Backbone interact. energy: -0.111 local terms energy: -56.408174 where: bonds (distance) C4'-P energy: -16.038 bonds (distance) P-C4' energy: -13.977 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -8.757 tors. eta vs tors. theta energy: -6.717 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: 219 Temperature: 0.900000 Total energy: -286.919391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.919391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.919391 (E_RNA) where: Base-Base interactions energy: -204.874 where: short stacking energy: -88.018 Base-Backbone interact. energy: -0.218 local terms energy: -81.828172 where: bonds (distance) C4'-P energy: -16.596 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -19.452 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: 219 Temperature: 0.950000 Total energy: -282.382052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.382052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.382052 (E_RNA) where: Base-Base interactions energy: -200.858 where: short stacking energy: -88.280 Base-Backbone interact. energy: -0.385 local terms energy: -81.138206 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -18.552 flat angles P-C4'-P energy: -14.500 tors. eta vs tors. theta energy: -17.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -271.558996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.558996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.558996 (E_RNA) where: Base-Base interactions energy: -189.918 where: short stacking energy: -78.937 Base-Backbone interact. energy: -0.522 local terms energy: -81.118718 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -18.002 flat angles C4'-P-C4' energy: -16.706 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -17.628 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: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -267.324002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.324002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.324002 (E_RNA) where: Base-Base interactions energy: -187.470 where: short stacking energy: -73.810 Base-Backbone interact. energy: -1.047 local terms energy: -78.806735 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -18.063 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -18.427 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: 6 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -266.922769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.922769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.922769 (E_RNA) where: Base-Base interactions energy: -191.946 where: short stacking energy: -81.073 Base-Backbone interact. energy: -0.106 local terms energy: -74.870737 where: bonds (distance) C4'-P energy: -16.168 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -16.196 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: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -255.010102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.010102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.010102 (E_RNA) where: Base-Base interactions energy: -181.146 where: short stacking energy: -62.283 Base-Backbone interact. energy: -1.628 local terms energy: -72.235876 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -17.012 flat angles C4'-P-C4' energy: -16.900 flat angles P-C4'-P energy: -13.931 tors. eta vs tors. theta energy: -11.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -208.135637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.135637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.135637 (E_RNA) where: Base-Base interactions energy: -139.917 where: short stacking energy: -63.083 Base-Backbone interact. energy: -0.097 local terms energy: -68.121349 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -18.898 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -17.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -208.164877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.164877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.164877 (E_RNA) where: Base-Base interactions energy: -142.207 where: short stacking energy: -65.441 Base-Backbone interact. energy: -0.020 local terms energy: -65.937816 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.582 flat angles C4'-P-C4' energy: -18.571 flat angles P-C4'-P energy: -12.755 tors. eta vs tors. theta energy: -16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -204.284777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.284777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.284777 (E_RNA) where: Base-Base interactions energy: -138.183 where: short stacking energy: -62.442 Base-Backbone interact. energy: -0.051 local terms energy: -66.051390 where: bonds (distance) C4'-P energy: -10.954 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -16.425 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -10.841 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: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -100.221085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.221085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.221085 (E_RNA) where: Base-Base interactions energy: -44.043 where: short stacking energy: -32.969 Base-Backbone interact. energy: 0.003 local terms energy: -56.180980 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -16.134 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -10.837 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: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -289.133805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.133805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.133805 (E_RNA) where: Base-Base interactions energy: -203.129 where: short stacking energy: -91.410 Base-Backbone interact. energy: -0.082 local terms energy: -85.922925 where: bonds (distance) C4'-P energy: -19.064 bonds (distance) P-C4' energy: -17.113 flat angles C4'-P-C4' energy: -18.415 flat angles P-C4'-P energy: -12.954 tors. eta vs tors. theta energy: -18.376 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: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -278.701935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.701935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.701935 (E_RNA) where: Base-Base interactions energy: -199.805 where: short stacking energy: -85.505 Base-Backbone interact. energy: -0.045 local terms energy: -78.852060 where: bonds (distance) C4'-P energy: -15.807 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -18.297 flat angles P-C4'-P energy: -11.121 tors. eta vs tors. theta energy: -20.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -282.071907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.071907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.071907 (E_RNA) where: Base-Base interactions energy: -200.611 where: short stacking energy: -82.092 Base-Backbone interact. energy: -0.104 local terms energy: -81.356129 where: bonds (distance) C4'-P energy: -16.120 bonds (distance) P-C4' energy: -18.143 flat angles C4'-P-C4' energy: -18.811 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -20.046 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: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -271.201868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.201868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.201868 (E_RNA) where: Base-Base interactions energy: -194.797 where: short stacking energy: -85.704 Base-Backbone interact. energy: -0.139 local terms energy: -76.265970 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -16.957 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -18.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -262.349529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.349529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.349529 (E_RNA) where: Base-Base interactions energy: -197.012 where: short stacking energy: -73.234 Base-Backbone interact. energy: -0.169 local terms energy: -65.168986 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -14.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -258.998579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.998579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.998579 (E_RNA) where: Base-Base interactions energy: -182.547 where: short stacking energy: -76.472 Base-Backbone interact. energy: -0.001 local terms energy: -76.450826 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -17.424 flat angles C4'-P-C4' energy: -17.915 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -18.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -200.312796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.312796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.312796 (E_RNA) where: Base-Base interactions energy: -139.197 where: short stacking energy: -62.101 Base-Backbone interact. energy: -0.119 local terms energy: -60.997477 where: bonds (distance) C4'-P energy: -7.417 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -15.643 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -13.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -202.523583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.523583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.523583 (E_RNA) where: Base-Base interactions energy: -125.329 where: short stacking energy: -59.645 Base-Backbone interact. energy: -0.079 local terms energy: -77.116007 where: bonds (distance) C4'-P energy: -16.119 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -19.739 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -207.106061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.106061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.106061 (E_RNA) where: Base-Base interactions energy: -140.822 where: short stacking energy: -70.632 Base-Backbone interact. energy: -0.013 local terms energy: -66.271224 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -11.469 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -19.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -99.663345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.663345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.663345 (E_RNA) where: Base-Base interactions energy: -41.229 where: short stacking energy: -41.229 Base-Backbone interact. energy: -0.310 local terms energy: -58.124523 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -17.711 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -8.708 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: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -281.388414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.388414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.388414 (E_RNA) where: Base-Base interactions energy: -194.321 where: short stacking energy: -81.346 Base-Backbone interact. energy: -0.123 local terms energy: -86.944920 where: bonds (distance) C4'-P energy: -18.203 bonds (distance) P-C4' energy: -17.125 flat angles C4'-P-C4' energy: -18.898 flat angles P-C4'-P energy: -12.911 tors. eta vs tors. theta energy: -19.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -282.019971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.019971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.019971 (E_RNA) where: Base-Base interactions energy: -204.226 where: short stacking energy: -83.219 Base-Backbone interact. energy: -0.471 local terms energy: -77.323014 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -16.649 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -20.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -278.056483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.056483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.056483 (E_RNA) where: Base-Base interactions energy: -201.673 where: short stacking energy: -82.708 Base-Backbone interact. energy: 0.226 local terms energy: -76.609505 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -17.498 flat angles P-C4'-P energy: -11.953 tors. eta vs tors. theta energy: -17.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -264.808026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.808026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.808026 (E_RNA) where: Base-Base interactions energy: -193.837 where: short stacking energy: -82.119 Base-Backbone interact. energy: 0.027 local terms energy: -70.997320 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -17.908 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -13.741 tors. eta vs tors. theta energy: -16.767 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: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -265.119924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.119924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.119924 (E_RNA) where: Base-Base interactions energy: -193.033 where: short stacking energy: -72.748 Base-Backbone interact. energy: 0.944 local terms energy: -73.030560 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -18.697 flat angles C4'-P-C4' energy: -16.928 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -265.742378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.742378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.742378 (E_RNA) where: Base-Base interactions energy: -189.435 where: short stacking energy: -74.933 Base-Backbone interact. energy: -0.377 local terms energy: -75.930085 where: bonds (distance) C4'-P energy: -18.335 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -22.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -249.145122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.145122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.145122 (E_RNA) where: Base-Base interactions energy: -181.624 where: short stacking energy: -71.514 Base-Backbone interact. energy: -0.339 local terms energy: -67.182455 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -16.098 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -15.213 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: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -208.014854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.014854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.014854 (E_RNA) where: Base-Base interactions energy: -141.854 where: short stacking energy: -71.567 Base-Backbone interact. energy: -0.392 local terms energy: -65.769602 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -11.565 tors. eta vs tors. theta energy: -20.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -200.883530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.883530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.883530 (E_RNA) where: Base-Base interactions energy: -130.253 where: short stacking energy: -61.301 Base-Backbone interact. energy: -0.332 local terms energy: -70.298381 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -17.420 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -17.008 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: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -99.816659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.816659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.816659 (E_RNA) where: Base-Base interactions energy: -53.279 where: short stacking energy: -49.064 Base-Backbone interact. energy: 1.695 local terms energy: -48.232861 where: bonds (distance) C4'-P energy: -5.844 bonds (distance) P-C4' energy: -15.515 flat angles C4'-P-C4' energy: -10.801 flat angles P-C4'-P energy: -7.143 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: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -287.572490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.572490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.572490 (E_RNA) where: Base-Base interactions energy: -204.485 where: short stacking energy: -86.658 Base-Backbone interact. energy: -0.238 local terms energy: -82.849351 where: bonds (distance) C4'-P energy: -18.343 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -15.722 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -22.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -282.427808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.427808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.427808 (E_RNA) where: Base-Base interactions energy: -198.217 where: short stacking energy: -85.321 Base-Backbone interact. energy: -0.097 local terms energy: -84.114017 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -19.174 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -22.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -270.932701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.932701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.932701 (E_RNA) where: Base-Base interactions energy: -197.245 where: short stacking energy: -77.723 Base-Backbone interact. energy: -1.653 local terms energy: -72.035016 where: bonds (distance) C4'-P energy: -12.063 bonds (distance) P-C4' energy: -19.084 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -273.005195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.005195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.005195 (E_RNA) where: Base-Base interactions energy: -187.445 where: short stacking energy: -78.537 Base-Backbone interact. energy: -2.552 local terms energy: -83.008284 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -17.113 flat angles C4'-P-C4' energy: -17.588 flat angles P-C4'-P energy: -11.408 tors. eta vs tors. theta energy: -19.814 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: 222 Temperature: 1.100000 Total energy: -267.673265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.673265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.673265 (E_RNA) where: Base-Base interactions energy: -194.425 where: short stacking energy: -81.257 Base-Backbone interact. energy: -0.263 local terms energy: -72.985572 where: bonds (distance) C4'-P energy: -14.474 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -16.547 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -247.903395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.903395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.903395 (E_RNA) where: Base-Base interactions energy: -180.248 where: short stacking energy: -73.236 Base-Backbone interact. energy: -0.104 local terms energy: -67.551796 where: bonds (distance) C4'-P energy: -17.565 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -7.746 tors. eta vs tors. theta energy: -17.482 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: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -259.856794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.856794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.856794 (E_RNA) where: Base-Base interactions energy: -186.415 where: short stacking energy: -75.721 Base-Backbone interact. energy: -0.212 local terms energy: -73.229630 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -7.255 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -218.224640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.224640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.224640 (E_RNA) where: Base-Base interactions energy: -141.216 where: short stacking energy: -61.060 Base-Backbone interact. energy: -0.006 local terms energy: -77.002728 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -17.520 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: -16.173 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: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -206.932437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.932437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.932437 (E_RNA) where: Base-Base interactions energy: -141.126 where: short stacking energy: -62.487 Base-Backbone interact. energy: -0.024 local terms energy: -65.782131 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -15.823 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -13.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -113.561430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.561430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.561430 (E_RNA) where: Base-Base interactions energy: -52.476 where: short stacking energy: -43.831 Base-Backbone interact. energy: -0.047 local terms energy: -61.037711 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -16.790 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -10.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -286.745894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.745894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.745894 (E_RNA) where: Base-Base interactions energy: -202.906 where: short stacking energy: -84.950 Base-Backbone interact. energy: -0.105 local terms energy: -83.735193 where: bonds (distance) C4'-P energy: -17.190 bonds (distance) P-C4' energy: -17.107 flat angles C4'-P-C4' energy: -18.168 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -21.053 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: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -271.085824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.085824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.085824 (E_RNA) where: Base-Base interactions energy: -194.776 where: short stacking energy: -75.556 Base-Backbone interact. energy: 0.758 local terms energy: -77.068141 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -17.315 flat angles C4'-P-C4' energy: -17.233 flat angles P-C4'-P energy: -12.111 tors. eta vs tors. theta energy: -17.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -271.814770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.814770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.814770 (E_RNA) where: Base-Base interactions energy: -197.057 where: short stacking energy: -78.599 Base-Backbone interact. energy: -0.125 local terms energy: -74.633186 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -11.263 flat angles C4'-P-C4' energy: -18.588 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -18.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -267.347399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.347399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.347399 (E_RNA) where: Base-Base interactions energy: -195.467 where: short stacking energy: -76.350 Base-Backbone interact. energy: -1.508 local terms energy: -70.372607 where: bonds (distance) C4'-P energy: -9.634 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -17.222 flat angles P-C4'-P energy: -11.964 tors. eta vs tors. theta energy: -19.693 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: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -274.334567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.334567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.334567 (E_RNA) where: Base-Base interactions energy: -198.087 where: short stacking energy: -83.718 Base-Backbone interact. energy: -1.114 local terms energy: -75.134149 where: bonds (distance) C4'-P energy: -15.803 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -18.290 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -264.428401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.428401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.428401 (E_RNA) where: Base-Base interactions energy: -187.459 where: short stacking energy: -73.238 Base-Backbone interact. energy: -0.856 local terms energy: -76.113925 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -17.990 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -13.835 tors. eta vs tors. theta energy: -16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -256.397918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.397918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.397918 (E_RNA) where: Base-Base interactions energy: -183.439 where: short stacking energy: -82.440 Base-Backbone interact. energy: -0.554 local terms energy: -72.404866 where: bonds (distance) C4'-P energy: -14.133 bonds (distance) P-C4' energy: -16.639 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -18.022 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: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -206.296609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.296609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.296609 (E_RNA) where: Base-Base interactions energy: -137.763 where: short stacking energy: -63.378 Base-Backbone interact. energy: -0.007 local terms energy: -68.526584 where: bonds (distance) C4'-P energy: -12.959 bonds (distance) P-C4' energy: -14.953 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -12.747 tors. eta vs tors. theta energy: -14.663 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: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -198.562567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.562567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.562567 (E_RNA) where: Base-Base interactions energy: -127.953 where: short stacking energy: -65.865 Base-Backbone interact. energy: 1.520 local terms energy: -72.129855 where: bonds (distance) C4'-P energy: -15.143 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -17.549 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -16.824 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: 223 Temperature: 1.350000 Total energy: -98.916743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.916743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.916743 (E_RNA) where: Base-Base interactions energy: -48.941 where: short stacking energy: -35.655 Base-Backbone interact. energy: -0.173 local terms energy: -49.802329 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -12.001 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -4.814 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: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -273.069338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.069338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.069338 (E_RNA) where: Base-Base interactions energy: -194.121 where: short stacking energy: -75.430 Base-Backbone interact. energy: 0.026 local terms energy: -78.974609 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -19.281 flat angles C4'-P-C4' energy: -16.749 flat angles P-C4'-P energy: -12.318 tors. eta vs tors. theta energy: -16.685 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: 4 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -281.226694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.226694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.226694 (E_RNA) where: Base-Base interactions energy: -201.827 where: short stacking energy: -81.041 Base-Backbone interact. energy: 0.128 local terms energy: -79.527580 where: bonds (distance) C4'-P energy: -15.964 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -21.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -272.384874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.384874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.384874 (E_RNA) where: Base-Base interactions energy: -197.486 where: short stacking energy: -84.092 Base-Backbone interact. energy: -0.071 local terms energy: -74.827678 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -19.151 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -21.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -274.458401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.458401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.458401 (E_RNA) where: Base-Base interactions energy: -194.566 where: short stacking energy: -82.160 Base-Backbone interact. energy: -0.053 local terms energy: -79.839524 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -12.732 tors. eta vs tors. theta energy: -19.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -267.257058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.257058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.257058 (E_RNA) where: Base-Base interactions energy: -193.154 where: short stacking energy: -83.654 Base-Backbone interact. energy: -0.179 local terms energy: -73.924500 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -17.896 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -15.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -264.446019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.446019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.446019 (E_RNA) where: Base-Base interactions energy: -185.926 where: short stacking energy: -71.709 Base-Backbone interact. energy: 0.617 local terms energy: -79.136259 where: bonds (distance) C4'-P energy: -16.921 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -11.872 tors. eta vs tors. theta energy: -19.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -257.157331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.157331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.157331 (E_RNA) where: Base-Base interactions energy: -186.629 where: short stacking energy: -70.156 Base-Backbone interact. energy: -0.472 local terms energy: -70.056400 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -19.204 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -11.875 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: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -200.049592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.049592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.049592 (E_RNA) where: Base-Base interactions energy: -135.924 where: short stacking energy: -70.685 Base-Backbone interact. energy: -0.042 local terms energy: -64.082929 where: bonds (distance) C4'-P energy: -9.103 bonds (distance) P-C4' energy: -12.482 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -18.471 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: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -190.516430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.516430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.516430 (E_RNA) where: Base-Base interactions energy: -128.361 where: short stacking energy: -55.193 Base-Backbone interact. energy: -0.693 local terms energy: -61.462320 where: bonds (distance) C4'-P energy: -16.981 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -12.731 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: 9 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -93.949772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.949772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.949772 (E_RNA) where: Base-Base interactions energy: -46.412 where: short stacking energy: -23.432 Base-Backbone interact. energy: -0.291 local terms energy: -47.246661 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -10.124 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -283.423718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.423718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.423718 (E_RNA) where: Base-Base interactions energy: -202.532 where: short stacking energy: -79.971 Base-Backbone interact. energy: -0.409 local terms energy: -80.482502 where: bonds (distance) C4'-P energy: -18.385 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -16.317 flat angles P-C4'-P energy: -13.822 tors. eta vs tors. theta energy: -15.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -279.822597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.822597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.822597 (E_RNA) where: Base-Base interactions energy: -195.004 where: short stacking energy: -83.789 Base-Backbone interact. energy: -1.918 local terms energy: -82.900718 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -16.955 flat angles C4'-P-C4' energy: -18.791 flat angles P-C4'-P energy: -14.369 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -279.381596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.381596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.381596 (E_RNA) where: Base-Base interactions energy: -201.692 where: short stacking energy: -91.072 Base-Backbone interact. energy: 0.208 local terms energy: -77.897202 where: bonds (distance) C4'-P energy: -16.121 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -18.993 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -18.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -266.704083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.704083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.704083 (E_RNA) where: Base-Base interactions energy: -192.425 where: short stacking energy: -83.412 Base-Backbone interact. energy: -0.881 local terms energy: -73.398366 where: bonds (distance) C4'-P energy: -16.087 bonds (distance) P-C4' energy: -11.600 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -11.696 tors. eta vs tors. theta energy: -19.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -261.493864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.493864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.493864 (E_RNA) where: Base-Base interactions energy: -181.915 where: short stacking energy: -76.200 Base-Backbone interact. energy: -1.525 local terms energy: -78.054402 where: bonds (distance) C4'-P energy: -17.321 bonds (distance) P-C4' energy: -19.243 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -262.060251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.060251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.060251 (E_RNA) where: Base-Base interactions energy: -187.998 where: short stacking energy: -73.876 Base-Backbone interact. energy: -0.251 local terms energy: -73.811359 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -15.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -256.746060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.746060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.746060 (E_RNA) where: Base-Base interactions energy: -189.851 where: short stacking energy: -72.995 Base-Backbone interact. energy: -0.767 local terms energy: -66.127256 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -16.729 flat angles C4'-P-C4' energy: -16.255 flat angles P-C4'-P energy: -6.697 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -207.398469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.398469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.398469 (E_RNA) where: Base-Base interactions energy: -143.821 where: short stacking energy: -70.673 Base-Backbone interact. energy: -0.039 local terms energy: -63.538467 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -13.754 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: 225 Temperature: 1.300000 Total energy: -202.225316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.225316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.225316 (E_RNA) where: Base-Base interactions energy: -133.744 where: short stacking energy: -65.758 Base-Backbone interact. energy: -0.541 local terms energy: -67.940396 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -14.502 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: 225 Temperature: 1.350000 Total energy: -93.292735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.292735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.292735 (E_RNA) where: Base-Base interactions energy: -45.497 where: short stacking energy: -38.178 Base-Backbone interact. energy: 0.504 local terms energy: -48.299280 where: bonds (distance) C4'-P energy: -9.236 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -10.991 flat angles P-C4'-P energy: -7.218 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: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -284.594261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.594261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.594261 (E_RNA) where: Base-Base interactions energy: -199.106 where: short stacking energy: -81.151 Base-Backbone interact. energy: -0.091 local terms energy: -85.397754 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -20.172 flat angles C4'-P-C4' energy: -18.424 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -21.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -277.622891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.622891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.622891 (E_RNA) where: Base-Base interactions energy: -192.865 where: short stacking energy: -78.298 Base-Backbone interact. energy: -1.361 local terms energy: -83.397054 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -18.073 flat angles C4'-P-C4' energy: -17.335 flat angles P-C4'-P energy: -14.810 tors. eta vs tors. theta energy: -16.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -272.999922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.999922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.999922 (E_RNA) where: Base-Base interactions energy: -192.067 where: short stacking energy: -80.665 Base-Backbone interact. energy: -0.212 local terms energy: -80.720778 where: bonds (distance) C4'-P energy: -15.788 bonds (distance) P-C4' energy: -14.397 flat angles C4'-P-C4' energy: -17.317 flat angles P-C4'-P energy: -13.929 tors. eta vs tors. theta energy: -19.290 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: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -273.314395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.314395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.314395 (E_RNA) where: Base-Base interactions energy: -191.898 where: short stacking energy: -80.722 Base-Backbone interact. energy: -0.197 local terms energy: -81.218990 where: bonds (distance) C4'-P energy: -18.033 bonds (distance) P-C4' energy: -17.962 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -13.310 tors. eta vs tors. theta energy: -17.258 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: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -273.971105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.971105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.971105 (E_RNA) where: Base-Base interactions energy: -195.286 where: short stacking energy: -82.213 Base-Backbone interact. energy: -0.777 local terms energy: -77.907980 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -15.274 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -20.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -266.017408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.017408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.017408 (E_RNA) where: Base-Base interactions energy: -190.730 where: short stacking energy: -73.527 Base-Backbone interact. energy: -1.420 local terms energy: -73.867580 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -13.685 tors. eta vs tors. theta energy: -17.950 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: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -249.577065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.577065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.577065 (E_RNA) where: Base-Base interactions energy: -175.703 where: short stacking energy: -81.079 Base-Backbone interact. energy: -0.189 local terms energy: -73.684932 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -17.766 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: -17.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -201.069620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.069620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.069620 (E_RNA) where: Base-Base interactions energy: -134.649 where: short stacking energy: -67.723 Base-Backbone interact. energy: -0.051 local terms energy: -66.369697 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -14.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -201.162474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.162474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.162474 (E_RNA) where: Base-Base interactions energy: -133.833 where: short stacking energy: -58.876 Base-Backbone interact. energy: -0.160 local terms energy: -67.169258 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -16.028 flat angles C4'-P-C4' energy: -16.373 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -13.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -96.426617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.426617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.426617 (E_RNA) where: Base-Base interactions energy: -36.681 where: short stacking energy: -35.463 Base-Backbone interact. energy: -0.055 local terms energy: -59.691488 where: bonds (distance) C4'-P energy: -17.599 bonds (distance) P-C4' energy: -15.839 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -10.729 tors. eta vs tors. theta energy: -1.208 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: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -286.757720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.757720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.757720 (E_RNA) where: Base-Base interactions energy: -199.315 where: short stacking energy: -84.121 Base-Backbone interact. energy: -0.675 local terms energy: -86.767821 where: bonds (distance) C4'-P energy: -16.932 bonds (distance) P-C4' energy: -18.713 flat angles C4'-P-C4' energy: -15.352 flat angles P-C4'-P energy: -13.997 tors. eta vs tors. theta energy: -21.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -274.397131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.397131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.397131 (E_RNA) where: Base-Base interactions energy: -193.400 where: short stacking energy: -75.864 Base-Backbone interact. energy: -0.164 local terms energy: -80.833341 where: bonds (distance) C4'-P energy: -19.155 bonds (distance) P-C4' energy: -18.150 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -15.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -275.023821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.023821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.023821 (E_RNA) where: Base-Base interactions energy: -195.407 where: short stacking energy: -79.786 Base-Backbone interact. energy: -0.326 local terms energy: -79.290645 where: bonds (distance) C4'-P energy: -14.655 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -16.693 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -21.239 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: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -269.279095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.279095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.279095 (E_RNA) where: Base-Base interactions energy: -191.405 where: short stacking energy: -82.410 Base-Backbone interact. energy: 0.240 local terms energy: -78.114501 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -15.638 flat angles C4'-P-C4' energy: -20.389 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -19.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -258.165235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.165235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.165235 (E_RNA) where: Base-Base interactions energy: -183.983 where: short stacking energy: -78.255 Base-Backbone interact. energy: 1.424 local terms energy: -75.605580 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -15.530 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -21.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -262.721543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.721543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.721543 (E_RNA) where: Base-Base interactions energy: -187.427 where: short stacking energy: -80.698 Base-Backbone interact. energy: -0.300 local terms energy: -74.994277 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -17.852 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -20.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -266.206350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.206350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.206350 (E_RNA) where: Base-Base interactions energy: -194.343 where: short stacking energy: -85.939 Base-Backbone interact. energy: -0.144 local terms energy: -71.718567 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -16.749 flat angles P-C4'-P energy: -12.320 tors. eta vs tors. theta energy: -19.265 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: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -205.100834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.100834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.100834 (E_RNA) where: Base-Base interactions energy: -138.019 where: short stacking energy: -67.819 Base-Backbone interact. energy: -0.269 local terms energy: -66.813451 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -12.443 tors. eta vs tors. theta energy: -15.816 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: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -190.474259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.474259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.474259 (E_RNA) where: Base-Base interactions energy: -126.703 where: short stacking energy: -53.141 Base-Backbone interact. energy: -0.236 local terms energy: -63.535033 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -17.995 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -10.371 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: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -97.026620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.026620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.026620 (E_RNA) where: Base-Base interactions energy: -44.154 where: short stacking energy: -31.185 Base-Backbone interact. energy: -0.322 local terms energy: -52.550692 where: bonds (distance) C4'-P energy: -10.811 bonds (distance) P-C4' energy: -16.534 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -286.028597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.028597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.028597 (E_RNA) where: Base-Base interactions energy: -204.393 where: short stacking energy: -83.344 Base-Backbone interact. energy: -0.137 local terms energy: -81.498186 where: bonds (distance) C4'-P energy: -18.865 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -15.357 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: -21.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -265.482337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.482337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.482337 (E_RNA) where: Base-Base interactions energy: -190.702 where: short stacking energy: -78.039 Base-Backbone interact. energy: -1.318 local terms energy: -73.462223 where: bonds (distance) C4'-P energy: -17.432 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -13.267 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: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -280.175574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.175574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.175574 (E_RNA) where: Base-Base interactions energy: -198.995 where: short stacking energy: -88.044 Base-Backbone interact. energy: -0.068 local terms energy: -81.112045 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -15.624 flat angles C4'-P-C4' energy: -19.625 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -18.769 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: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -276.071264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.071264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.071264 (E_RNA) where: Base-Base interactions energy: -194.066 where: short stacking energy: -76.423 Base-Backbone interact. energy: -0.564 local terms energy: -81.441420 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -18.881 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -20.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -268.348228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.348228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.348228 (E_RNA) where: Base-Base interactions energy: -190.768 where: short stacking energy: -81.393 Base-Backbone interact. energy: -0.858 local terms energy: -76.721471 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -17.926 flat angles C4'-P-C4' energy: -16.266 flat angles P-C4'-P energy: -11.269 tors. eta vs tors. theta energy: -16.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -262.602318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.602318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.602318 (E_RNA) where: Base-Base interactions energy: -192.851 where: short stacking energy: -81.545 Base-Backbone interact. energy: -0.718 local terms energy: -69.033173 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -17.432 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -14.645 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: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -274.828341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.828341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.828341 (E_RNA) where: Base-Base interactions energy: -196.641 where: short stacking energy: -74.524 Base-Backbone interact. energy: -0.296 local terms energy: -77.891070 where: bonds (distance) C4'-P energy: -14.660 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -17.910 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -16.063 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: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -211.259284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.259284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.259284 (E_RNA) where: Base-Base interactions energy: -140.965 where: short stacking energy: -64.079 Base-Backbone interact. energy: -1.469 local terms energy: -68.825451 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -16.221 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -15.816 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: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -193.665773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.665773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.665773 (E_RNA) where: Base-Base interactions energy: -130.051 where: short stacking energy: -63.671 Base-Backbone interact. energy: -0.441 local terms energy: -63.174110 where: bonds (distance) C4'-P energy: -18.717 bonds (distance) P-C4' energy: -9.050 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -15.908 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: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -121.474474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.474474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.474474 (E_RNA) where: Base-Base interactions energy: -70.845 where: short stacking energy: -40.397 Base-Backbone interact. energy: -0.262 local terms energy: -50.367791 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -15.549 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -1.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -279.696934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.696934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.696934 (E_RNA) where: Base-Base interactions energy: -199.542 where: short stacking energy: -78.730 Base-Backbone interact. energy: -0.196 local terms energy: -79.959209 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -17.004 flat angles P-C4'-P energy: -12.517 tors. eta vs tors. theta energy: -20.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -274.823417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.823417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.823417 (E_RNA) where: Base-Base interactions energy: -200.622 where: short stacking energy: -77.866 Base-Backbone interact. energy: -0.976 local terms energy: -73.225360 where: bonds (distance) C4'-P energy: -15.744 bonds (distance) P-C4' energy: -16.875 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -12.950 tors. eta vs tors. theta energy: -14.392 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: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -280.634270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.634270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.634270 (E_RNA) where: Base-Base interactions energy: -201.328 where: short stacking energy: -90.928 Base-Backbone interact. energy: -0.095 local terms energy: -79.211440 where: bonds (distance) C4'-P energy: -16.668 bonds (distance) P-C4' energy: -18.292 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -19.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -278.897292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.897292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.897292 (E_RNA) where: Base-Base interactions energy: -203.763 where: short stacking energy: -82.376 Base-Backbone interact. energy: -0.648 local terms energy: -74.486944 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -17.269 flat angles C4'-P-C4' energy: -17.807 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -21.179 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: 229 Temperature: 1.100000 Total energy: -272.459395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.459395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.459395 (E_RNA) where: Base-Base interactions energy: -196.314 where: short stacking energy: -88.588 Base-Backbone interact. energy: -1.776 local terms energy: -74.369819 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -14.351 tors. eta vs tors. theta energy: -15.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -260.036941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.036941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.036941 (E_RNA) where: Base-Base interactions energy: -186.030 where: short stacking energy: -67.756 Base-Backbone interact. energy: -0.716 local terms energy: -73.291371 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -17.606 flat angles C4'-P-C4' energy: -17.773 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -16.344 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: 3 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -257.366626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.366626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.366626 (E_RNA) where: Base-Base interactions energy: -186.186 where: short stacking energy: -73.644 Base-Backbone interact. energy: 0.350 local terms energy: -71.530809 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -13.136 flat angles C4'-P-C4' energy: -16.553 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -17.444 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: 2 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -199.627073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.627073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.627073 (E_RNA) where: Base-Base interactions energy: -133.035 where: short stacking energy: -61.016 Base-Backbone interact. energy: -0.144 local terms energy: -66.447248 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -203.667542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.667542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.667542 (E_RNA) where: Base-Base interactions energy: -137.448 where: short stacking energy: -65.583 Base-Backbone interact. energy: 0.342 local terms energy: -66.560813 where: bonds (distance) C4'-P energy: -16.841 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -14.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -112.904521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.904521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.904521 (E_RNA) where: Base-Base interactions energy: -60.183 where: short stacking energy: -49.886 Base-Backbone interact. energy: -0.139 local terms energy: -52.581962 where: bonds (distance) C4'-P energy: -8.887 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -273.370996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.370996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.370996 (E_RNA) where: Base-Base interactions energy: -198.064 where: short stacking energy: -78.491 Base-Backbone interact. energy: -0.868 local terms energy: -74.439130 where: bonds (distance) C4'-P energy: -17.892 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -14.558 tors. eta vs tors. theta energy: -13.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -278.254993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.254993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.254993 (E_RNA) where: Base-Base interactions energy: -194.351 where: short stacking energy: -79.844 Base-Backbone interact. energy: 0.241 local terms energy: -84.145462 where: bonds (distance) C4'-P energy: -15.350 bonds (distance) P-C4' energy: -19.994 flat angles C4'-P-C4' energy: -18.131 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -21.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -276.854476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.854476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.854476 (E_RNA) where: Base-Base interactions energy: -194.057 where: short stacking energy: -81.579 Base-Backbone interact. energy: -0.119 local terms energy: -82.678060 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -19.457 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -270.389369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.389369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.389369 (E_RNA) where: Base-Base interactions energy: -199.912 where: short stacking energy: -81.341 Base-Backbone interact. energy: 0.757 local terms energy: -71.235002 where: bonds (distance) C4'-P energy: -16.065 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -16.036 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -19.488 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: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -269.491449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.491449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.491449 (E_RNA) where: Base-Base interactions energy: -191.242 where: short stacking energy: -79.074 Base-Backbone interact. energy: -1.774 local terms energy: -76.474638 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -15.756 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -22.468 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: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -263.091108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.091108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.091108 (E_RNA) where: Base-Base interactions energy: -194.078 where: short stacking energy: -80.569 Base-Backbone interact. energy: -0.219 local terms energy: -68.793870 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -19.026 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -18.818 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: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -265.665311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.665311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.665311 (E_RNA) where: Base-Base interactions energy: -192.650 where: short stacking energy: -77.378 Base-Backbone interact. energy: -0.363 local terms energy: -72.652267 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -13.223 tors. eta vs tors. theta energy: -18.027 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: 230 Temperature: 1.250000 Total energy: -215.418285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.418285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.418285 (E_RNA) where: Base-Base interactions energy: -145.392 where: short stacking energy: -73.778 Base-Backbone interact. energy: -0.991 local terms energy: -69.035145 where: bonds (distance) C4'-P energy: -17.090 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -224.104167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.104167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.104167 (E_RNA) where: Base-Base interactions energy: -164.928 where: short stacking energy: -71.221 Base-Backbone interact. energy: -0.072 local terms energy: -59.104610 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -6.026 tors. eta vs tors. theta energy: -14.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -92.488314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.488314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.488314 (E_RNA) where: Base-Base interactions energy: -48.602 where: short stacking energy: -28.756 Base-Backbone interact. energy: 0.418 local terms energy: -44.304240 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -15.388 flat angles C4'-P-C4' energy: -11.169 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -272.261240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.261240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.261240 (E_RNA) where: Base-Base interactions energy: -202.592 where: short stacking energy: -83.801 Base-Backbone interact. energy: -0.534 local terms energy: -69.134776 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -13.772 tors. eta vs tors. theta energy: -15.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -286.879717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.879717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.879717 (E_RNA) where: Base-Base interactions energy: -203.716 where: short stacking energy: -87.981 Base-Backbone interact. energy: -0.134 local terms energy: -83.029646 where: bonds (distance) C4'-P energy: -17.996 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -15.841 flat angles P-C4'-P energy: -12.990 tors. eta vs tors. theta energy: -20.382 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: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -272.998770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.998770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.998770 (E_RNA) where: Base-Base interactions energy: -193.988 where: short stacking energy: -81.726 Base-Backbone interact. energy: -1.245 local terms energy: -77.765385 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -16.337 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -19.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -264.398190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.398190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.398190 (E_RNA) where: Base-Base interactions energy: -188.789 where: short stacking energy: -77.684 Base-Backbone interact. energy: 0.253 local terms energy: -75.862795 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -18.161 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -12.103 tors. eta vs tors. theta energy: -16.677 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: 8 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -270.613315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.613315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.613315 (E_RNA) where: Base-Base interactions energy: -186.897 where: short stacking energy: -77.217 Base-Backbone interact. energy: -0.203 local terms energy: -83.513661 where: bonds (distance) C4'-P energy: -16.798 bonds (distance) P-C4' energy: -18.516 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -21.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -271.115263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.115263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.115263 (E_RNA) where: Base-Base interactions energy: -187.671 where: short stacking energy: -74.816 Base-Backbone interact. energy: -0.513 local terms energy: -82.931240 where: bonds (distance) C4'-P energy: -15.979 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -16.784 flat angles P-C4'-P energy: -14.619 tors. eta vs tors. theta energy: -17.567 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: 1 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -238.300288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.300288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.300288 (E_RNA) where: Base-Base interactions energy: -172.895 where: short stacking energy: -70.860 Base-Backbone interact. energy: -0.077 local terms energy: -65.328353 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -17.502 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -13.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -232.455210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.455210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.455210 (E_RNA) where: Base-Base interactions energy: -158.095 where: short stacking energy: -62.031 Base-Backbone interact. energy: -0.670 local terms energy: -73.690064 where: bonds (distance) C4'-P energy: -15.041 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -16.737 flat angles P-C4'-P energy: -11.708 tors. eta vs tors. theta energy: -14.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -198.276552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.276552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.276552 (E_RNA) where: Base-Base interactions energy: -129.186 where: short stacking energy: -61.357 Base-Backbone interact. energy: 0.530 local terms energy: -69.621172 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -15.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -92.205247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.205247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.205247 (E_RNA) where: Base-Base interactions energy: -40.108 where: short stacking energy: -39.967 Base-Backbone interact. energy: -0.163 local terms energy: -51.934374 where: bonds (distance) C4'-P energy: -7.807 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -12.769 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: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -278.412817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.412817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.412817 (E_RNA) where: Base-Base interactions energy: -200.061 where: short stacking energy: -84.857 Base-Backbone interact. energy: -0.081 local terms energy: -78.270438 where: bonds (distance) C4'-P energy: -14.604 bonds (distance) P-C4' energy: -17.483 flat angles C4'-P-C4' energy: -16.812 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -20.665 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: 232 Temperature: 0.950000 Total energy: -273.015078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.015078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.015078 (E_RNA) where: Base-Base interactions energy: -200.945 where: short stacking energy: -75.135 Base-Backbone interact. energy: -0.555 local terms energy: -71.515198 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -15.366 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -12.445 tors. eta vs tors. theta energy: -13.098 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -278.741795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.741795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.741795 (E_RNA) where: Base-Base interactions energy: -190.933 where: short stacking energy: -84.631 Base-Backbone interact. energy: -0.107 local terms energy: -87.701525 where: bonds (distance) C4'-P energy: -17.106 bonds (distance) P-C4' energy: -18.538 flat angles C4'-P-C4' energy: -17.964 flat angles P-C4'-P energy: -15.687 tors. eta vs tors. theta energy: -18.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -275.265591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.265591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.265591 (E_RNA) where: Base-Base interactions energy: -196.959 where: short stacking energy: -86.292 Base-Backbone interact. energy: -0.105 local terms energy: -78.201699 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -14.416 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -21.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -268.308366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.308366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.308366 (E_RNA) where: Base-Base interactions energy: -190.331 where: short stacking energy: -77.281 Base-Backbone interact. energy: -0.191 local terms energy: -77.786532 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -17.213 flat angles P-C4'-P energy: -14.612 tors. eta vs tors. theta energy: -18.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -268.331885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.331885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.331885 (E_RNA) where: Base-Base interactions energy: -184.908 where: short stacking energy: -73.777 Base-Backbone interact. energy: -2.137 local terms energy: -81.287242 where: bonds (distance) C4'-P energy: -14.974 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -14.636 flat angles P-C4'-P energy: -14.131 tors. eta vs tors. theta energy: -20.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -244.167020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.167020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.167020 (E_RNA) where: Base-Base interactions energy: -171.264 where: short stacking energy: -73.036 Base-Backbone interact. energy: -1.211 local terms energy: -71.692261 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -17.400 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -17.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -195.744587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.744587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.744587 (E_RNA) where: Base-Base interactions energy: -131.727 where: short stacking energy: -64.771 Base-Backbone interact. energy: -0.220 local terms energy: -63.798449 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -17.414 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -9.692 tors. eta vs tors. theta energy: -10.407 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: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -201.664577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.664577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.664577 (E_RNA) where: Base-Base interactions energy: -135.895 where: short stacking energy: -67.937 Base-Backbone interact. energy: -0.114 local terms energy: -65.655314 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -11.363 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -14.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -95.636207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.636207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.636207 (E_RNA) where: Base-Base interactions energy: -41.808 where: short stacking energy: -41.808 Base-Backbone interact. energy: -0.141 local terms energy: -53.686407 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -14.888 flat angles P-C4'-P energy: -7.291 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -284.068300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.068300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.068300 (E_RNA) where: Base-Base interactions energy: -196.909 where: short stacking energy: -79.894 Base-Backbone interact. energy: -0.088 local terms energy: -87.070825 where: bonds (distance) C4'-P energy: -18.578 bonds (distance) P-C4' energy: -15.667 flat angles C4'-P-C4' energy: -18.273 flat angles P-C4'-P energy: -12.881 tors. eta vs tors. theta energy: -21.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -278.559972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.559972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.559972 (E_RNA) where: Base-Base interactions energy: -199.829 where: short stacking energy: -84.454 Base-Backbone interact. energy: -0.191 local terms energy: -78.539067 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -18.642 flat angles C4'-P-C4' energy: -17.772 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -18.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -268.798991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.798991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.798991 (E_RNA) where: Base-Base interactions energy: -201.987 where: short stacking energy: -78.057 Base-Backbone interact. energy: -1.579 local terms energy: -65.233769 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -12.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -270.016801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.016801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.016801 (E_RNA) where: Base-Base interactions energy: -197.067 where: short stacking energy: -85.784 Base-Backbone interact. energy: -0.155 local terms energy: -72.794972 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -12.920 tors. eta vs tors. theta energy: -19.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -279.014422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.014422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.014422 (E_RNA) where: Base-Base interactions energy: -199.885 where: short stacking energy: -86.402 Base-Backbone interact. energy: -0.551 local terms energy: -78.578456 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -18.596 flat angles P-C4'-P energy: -9.741 tors. eta vs tors. theta energy: -22.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -247.772910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.772910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.772910 (E_RNA) where: Base-Base interactions energy: -180.726 where: short stacking energy: -73.210 Base-Backbone interact. energy: -0.170 local terms energy: -66.876287 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -17.459 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -12.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -255.665157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.665157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.665157 (E_RNA) where: Base-Base interactions energy: -183.070 where: short stacking energy: -68.494 Base-Backbone interact. energy: -0.743 local terms energy: -71.851362 where: bonds (distance) C4'-P energy: -16.464 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -20.407 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: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -208.118061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.118061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.118061 (E_RNA) where: Base-Base interactions energy: -136.502 where: short stacking energy: -59.684 Base-Backbone interact. energy: -0.929 local terms energy: -70.686525 where: bonds (distance) C4'-P energy: -18.497 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -11.939 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: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -193.485199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.485199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.485199 (E_RNA) where: Base-Base interactions energy: -133.676 where: short stacking energy: -63.155 Base-Backbone interact. energy: -0.037 local terms energy: -59.772614 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -13.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -90.888241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.888241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.888241 (E_RNA) where: Base-Base interactions energy: -41.846 where: short stacking energy: -24.720 Base-Backbone interact. energy: 1.014 local terms energy: -50.055674 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -18.586 flat angles C4'-P-C4' energy: -16.792 flat angles P-C4'-P energy: -2.852 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: 1, replica: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -281.551242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.551242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.551242 (E_RNA) where: Base-Base interactions energy: -199.790 where: short stacking energy: -87.102 Base-Backbone interact. energy: -0.096 local terms energy: -81.664888 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -16.415 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -13.525 tors. eta vs tors. theta energy: -20.925 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: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -278.120025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.120025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.120025 (E_RNA) where: Base-Base interactions energy: -199.977 where: short stacking energy: -79.162 Base-Backbone interact. energy: -0.114 local terms energy: -78.028820 where: bonds (distance) C4'-P energy: -16.464 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -15.775 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -22.733 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: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -270.819828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.819828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.819828 (E_RNA) where: Base-Base interactions energy: -187.498 where: short stacking energy: -72.535 Base-Backbone interact. energy: -1.776 local terms energy: -81.545860 where: bonds (distance) C4'-P energy: -14.824 bonds (distance) P-C4' energy: -19.697 flat angles C4'-P-C4' energy: -16.599 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -20.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -262.885713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.885713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.885713 (E_RNA) where: Base-Base interactions energy: -192.086 where: short stacking energy: -74.959 Base-Backbone interact. energy: -0.746 local terms energy: -70.053326 where: bonds (distance) C4'-P energy: -15.586 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -14.606 flat angles P-C4'-P energy: -12.286 tors. eta vs tors. theta energy: -15.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -258.354263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.354263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.354263 (E_RNA) where: Base-Base interactions energy: -189.620 where: short stacking energy: -87.175 Base-Backbone interact. energy: -0.059 local terms energy: -68.674803 where: bonds (distance) C4'-P energy: -13.356 bonds (distance) P-C4' energy: -9.789 flat angles C4'-P-C4' energy: -17.857 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -19.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -262.265672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.265672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.265672 (E_RNA) where: Base-Base interactions energy: -186.547 where: short stacking energy: -80.007 Base-Backbone interact. energy: -0.279 local terms energy: -75.439412 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -16.031 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -226.144456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.144456 (E_RNA) where: Base-Base interactions energy: -159.893 where: short stacking energy: -68.054 Base-Backbone interact. energy: -0.631 local terms energy: -65.620694 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -17.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -202.344759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.344759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.344759 (E_RNA) where: Base-Base interactions energy: -136.294 where: short stacking energy: -62.633 Base-Backbone interact. energy: -0.379 local terms energy: -65.671911 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -18.305 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -208.167466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.167466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.167466 (E_RNA) where: Base-Base interactions energy: -131.764 where: short stacking energy: -64.054 Base-Backbone interact. energy: -0.001 local terms energy: -76.401899 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -18.479 flat angles C4'-P-C4' energy: -17.302 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: -17.945 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: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -80.648192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.648192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.648192 (E_RNA) where: Base-Base interactions energy: -27.790 where: short stacking energy: -27.790 Base-Backbone interact. energy: 0.169 local terms energy: -53.027432 where: bonds (distance) C4'-P energy: -11.385 bonds (distance) P-C4' energy: -18.449 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -10.846 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: 1, replica: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -282.547892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.547892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.547892 (E_RNA) where: Base-Base interactions energy: -197.236 where: short stacking energy: -80.717 Base-Backbone interact. energy: -0.145 local terms energy: -85.166241 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -19.687 flat angles P-C4'-P energy: -13.783 tors. eta vs tors. theta energy: -18.868 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: 235 Temperature: 0.950000 Total energy: -279.862965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.862965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.862965 (E_RNA) where: Base-Base interactions energy: -202.210 where: short stacking energy: -85.407 Base-Backbone interact. energy: 1.196 local terms energy: -78.849084 where: bonds (distance) C4'-P energy: -18.157 bonds (distance) P-C4' energy: -17.787 flat angles C4'-P-C4' energy: -15.942 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -19.202 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: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -274.896167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.896167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.896167 (E_RNA) where: Base-Base interactions energy: -197.006 where: short stacking energy: -85.358 Base-Backbone interact. energy: 2.030 local terms energy: -79.920061 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -18.143 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -22.126 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: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -270.599690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.599690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.599690 (E_RNA) where: Base-Base interactions energy: -186.974 where: short stacking energy: -76.300 Base-Backbone interact. energy: 0.029 local terms energy: -83.654437 where: bonds (distance) C4'-P energy: -16.586 bonds (distance) P-C4' energy: -20.197 flat angles C4'-P-C4' energy: -16.988 flat angles P-C4'-P energy: -13.090 tors. eta vs tors. theta energy: -16.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -258.670758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.670758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.670758 (E_RNA) where: Base-Base interactions energy: -189.029 where: short stacking energy: -73.060 Base-Backbone interact. energy: -0.286 local terms energy: -69.355886 where: bonds (distance) C4'-P energy: -16.664 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -11.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -222.807215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.807215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.807215 (E_RNA) where: Base-Base interactions energy: -144.935 where: short stacking energy: -63.601 Base-Backbone interact. energy: -0.101 local terms energy: -77.770467 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -17.451 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -20.174 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: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -257.682646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.682646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.682646 (E_RNA) where: Base-Base interactions energy: -180.807 where: short stacking energy: -72.118 Base-Backbone interact. energy: -0.562 local terms energy: -76.313492 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -16.341 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -18.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -207.933858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.933858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.933858 (E_RNA) where: Base-Base interactions energy: -138.568 where: short stacking energy: -66.779 Base-Backbone interact. energy: -0.001 local terms energy: -69.365382 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -17.458 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -16.194 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: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -210.354960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.354960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.354960 (E_RNA) where: Base-Base interactions energy: -150.046 where: short stacking energy: -67.777 Base-Backbone interact. energy: -0.147 local terms energy: -60.161481 where: bonds (distance) C4'-P energy: -8.693 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -13.184 tors. eta vs tors. theta energy: -9.229 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: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -89.756928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.756928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.756928 (E_RNA) where: Base-Base interactions energy: -34.387 where: short stacking energy: -30.687 Base-Backbone interact. energy: -0.477 local terms energy: -54.892661 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -17.425 flat angles C4'-P-C4' energy: -17.038 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -282.532878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.532878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.532878 (E_RNA) where: Base-Base interactions energy: -201.472 where: short stacking energy: -89.717 Base-Backbone interact. energy: -0.396 local terms energy: -80.664884 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -16.359 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -13.641 tors. eta vs tors. theta energy: -19.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -283.920891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.920891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.920891 (E_RNA) where: Base-Base interactions energy: -204.999 where: short stacking energy: -83.723 Base-Backbone interact. energy: -0.984 local terms energy: -77.937830 where: bonds (distance) C4'-P energy: -17.599 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -21.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -275.423714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.423714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.423714 (E_RNA) where: Base-Base interactions energy: -189.742 where: short stacking energy: -78.348 Base-Backbone interact. energy: -0.737 local terms energy: -84.944569 where: bonds (distance) C4'-P energy: -17.441 bonds (distance) P-C4' energy: -20.180 flat angles C4'-P-C4' energy: -18.042 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -265.222987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.222987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.222987 (E_RNA) where: Base-Base interactions energy: -183.137 where: short stacking energy: -80.777 Base-Backbone interact. energy: -0.584 local terms energy: -81.502439 where: bonds (distance) C4'-P energy: -15.872 bonds (distance) P-C4' energy: -16.775 flat angles C4'-P-C4' energy: -16.723 flat angles P-C4'-P energy: -15.099 tors. eta vs tors. theta energy: -17.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -256.614287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.614287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.614287 (E_RNA) where: Base-Base interactions energy: -186.145 where: short stacking energy: -70.968 Base-Backbone interact. energy: -2.540 local terms energy: -67.928643 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -11.636 tors. eta vs tors. theta energy: -13.894 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: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -219.957840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.957840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.957840 (E_RNA) where: Base-Base interactions energy: -152.262 where: short stacking energy: -68.625 Base-Backbone interact. energy: -0.359 local terms energy: -67.336930 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -13.957 flat angles C4'-P-C4' energy: -16.602 flat angles P-C4'-P energy: -5.596 tors. eta vs tors. theta energy: -18.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -261.381976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.381976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.381976 (E_RNA) where: Base-Base interactions energy: -187.650 where: short stacking energy: -75.191 Base-Backbone interact. energy: -0.175 local terms energy: -73.557336 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -14.330 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -18.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -220.310319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.310319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.310319 (E_RNA) where: Base-Base interactions energy: -147.025 where: short stacking energy: -68.132 Base-Backbone interact. energy: -0.107 local terms energy: -73.178994 where: bonds (distance) C4'-P energy: -9.426 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -15.624 flat angles P-C4'-P energy: -12.861 tors. eta vs tors. theta energy: -18.009 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: 7 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -209.944700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.944700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.944700 (E_RNA) where: Base-Base interactions energy: -160.040 where: short stacking energy: -57.835 Base-Backbone interact. energy: -0.099 local terms energy: -49.805267 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -9.958 flat angles P-C4'-P energy: -8.452 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: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -99.996902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.996902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.996902 (E_RNA) where: Base-Base interactions energy: -40.358 where: short stacking energy: -40.358 Base-Backbone interact. energy: -0.038 local terms energy: -59.601568 where: bonds (distance) C4'-P energy: -14.191 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -10.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -293.762464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.762464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.762464 (E_RNA) where: Base-Base interactions energy: -209.624 where: short stacking energy: -86.873 Base-Backbone interact. energy: -1.465 local terms energy: -82.672920 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -13.466 flat angles C4'-P-C4' energy: -19.053 flat angles P-C4'-P energy: -14.037 tors. eta vs tors. theta energy: -20.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -285.744606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.744606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.744606 (E_RNA) where: Base-Base interactions energy: -207.159 where: short stacking energy: -86.239 Base-Backbone interact. energy: -0.199 local terms energy: -78.386320 where: bonds (distance) C4'-P energy: -15.151 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -13.729 tors. eta vs tors. theta energy: -20.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -273.878182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.878182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.878182 (E_RNA) where: Base-Base interactions energy: -195.977 where: short stacking energy: -73.336 Base-Backbone interact. energy: 1.037 local terms energy: -78.938149 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -19.324 flat angles C4'-P-C4' energy: -16.052 flat angles P-C4'-P energy: -11.449 tors. eta vs tors. theta energy: -19.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -264.870174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.870174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.870174 (E_RNA) where: Base-Base interactions energy: -186.093 where: short stacking energy: -73.558 Base-Backbone interact. energy: -0.176 local terms energy: -78.601204 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -15.966 flat angles C4'-P-C4' energy: -17.932 flat angles P-C4'-P energy: -8.017 tors. eta vs tors. theta energy: -23.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -258.831143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.831143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.831143 (E_RNA) where: Base-Base interactions energy: -185.183 where: short stacking energy: -71.952 Base-Backbone interact. energy: -0.554 local terms energy: -73.094142 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -17.800 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -14.025 tors. eta vs tors. theta energy: -11.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -269.000450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.000450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.000450 (E_RNA) where: Base-Base interactions energy: -186.626 where: short stacking energy: -78.125 Base-Backbone interact. energy: -0.751 local terms energy: -81.623821 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -17.785 flat angles C4'-P-C4' energy: -17.460 flat angles P-C4'-P energy: -14.463 tors. eta vs tors. theta energy: -19.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -219.409188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.409188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.409188 (E_RNA) where: Base-Base interactions energy: -148.709 where: short stacking energy: -76.845 Base-Backbone interact. energy: 0.476 local terms energy: -71.176374 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -9.890 tors. eta vs tors. theta energy: -21.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -213.490956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.490956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.490956 (E_RNA) where: Base-Base interactions energy: -132.877 where: short stacking energy: -63.925 Base-Backbone interact. energy: -0.100 local terms energy: -80.513784 where: bonds (distance) C4'-P energy: -16.426 bonds (distance) P-C4' energy: -16.907 flat angles C4'-P-C4' energy: -17.848 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -19.946 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: 2 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -203.487770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.487770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.487770 (E_RNA) where: Base-Base interactions energy: -147.466 where: short stacking energy: -58.741 Base-Backbone interact. energy: -0.022 local terms energy: -56.000145 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -14.164 flat angles C4'-P-C4' energy: -10.979 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -13.417 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: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -92.364737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.364737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.364737 (E_RNA) where: Base-Base interactions energy: -40.319 where: short stacking energy: -35.085 Base-Backbone interact. energy: -0.042 local terms energy: -52.003709 where: bonds (distance) C4'-P energy: -15.344 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -10.188 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: 1, replica: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -285.341364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.341364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.341364 (E_RNA) where: Base-Base interactions energy: -207.258 where: short stacking energy: -90.114 Base-Backbone interact. energy: -0.501 local terms energy: -77.581911 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -17.121 flat angles C4'-P-C4' energy: -17.434 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -17.898 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: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -277.943862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.943862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.943862 (E_RNA) where: Base-Base interactions energy: -200.828 where: short stacking energy: -82.157 Base-Backbone interact. energy: -0.719 local terms energy: -76.396276 where: bonds (distance) C4'-P energy: -12.167 bonds (distance) P-C4' energy: -19.148 flat angles C4'-P-C4' energy: -17.746 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -19.049 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: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -275.034096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.034096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.034096 (E_RNA) where: Base-Base interactions energy: -198.310 where: short stacking energy: -73.075 Base-Backbone interact. energy: -0.155 local terms energy: -76.568883 where: bonds (distance) C4'-P energy: -19.983 bonds (distance) P-C4' energy: -14.707 flat angles C4'-P-C4' energy: -16.898 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -18.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -270.152701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.152701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.152701 (E_RNA) where: Base-Base interactions energy: -194.343 where: short stacking energy: -84.334 Base-Backbone interact. energy: -0.802 local terms energy: -75.007268 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -15.864 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -22.015 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: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -269.911681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.911681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.911681 (E_RNA) where: Base-Base interactions energy: -195.684 where: short stacking energy: -77.358 Base-Backbone interact. energy: -0.433 local terms energy: -73.794524 where: bonds (distance) C4'-P energy: -9.596 bonds (distance) P-C4' energy: -16.945 flat angles C4'-P-C4' energy: -15.607 flat angles P-C4'-P energy: -13.040 tors. eta vs tors. theta energy: -18.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -256.727013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.727013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.727013 (E_RNA) where: Base-Base interactions energy: -189.444 where: short stacking energy: -70.715 Base-Backbone interact. energy: -1.755 local terms energy: -65.527745 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -9.299 tors. eta vs tors. theta energy: -12.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -206.057185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.057185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.057185 (E_RNA) where: Base-Base interactions energy: -131.342 where: short stacking energy: -55.902 Base-Backbone interact. energy: -0.041 local terms energy: -74.674519 where: bonds (distance) C4'-P energy: -17.930 bonds (distance) P-C4' energy: -17.629 flat angles C4'-P-C4' energy: -15.630 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -12.896 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: -211.298790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.298790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.298790 (E_RNA) where: Base-Base interactions energy: -138.077 where: short stacking energy: -68.074 Base-Backbone interact. energy: -0.001 local terms energy: -73.220993 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -15.820 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -17.850 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: 238 Temperature: 1.300000 Total energy: -189.258705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.258705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.258705 (E_RNA) where: Base-Base interactions energy: -124.380 where: short stacking energy: -54.248 Base-Backbone interact. energy: -0.229 local terms energy: -64.650135 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -9.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -116.551573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.551573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.551573 (E_RNA) where: Base-Base interactions energy: -61.339 where: short stacking energy: -53.153 Base-Backbone interact. energy: -0.188 local terms energy: -55.025031 where: bonds (distance) C4'-P energy: -9.563 bonds (distance) P-C4' energy: -9.615 flat angles C4'-P-C4' energy: -16.784 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -13.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -283.499699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.499699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.499699 (E_RNA) where: Base-Base interactions energy: -205.396 where: short stacking energy: -88.076 Base-Backbone interact. energy: -1.017 local terms energy: -77.086067 where: bonds (distance) C4'-P energy: -15.781 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -18.969 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -17.051 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: 1 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -281.349447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.349447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.349447 (E_RNA) where: Base-Base interactions energy: -198.620 where: short stacking energy: -81.362 Base-Backbone interact. energy: -1.405 local terms energy: -81.324555 where: bonds (distance) C4'-P energy: -15.786 bonds (distance) P-C4' energy: -17.030 flat angles C4'-P-C4' energy: -18.018 flat angles P-C4'-P energy: -11.203 tors. eta vs tors. theta energy: -19.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -275.485011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.485011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.485011 (E_RNA) where: Base-Base interactions energy: -198.331 where: short stacking energy: -84.236 Base-Backbone interact. energy: 1.413 local terms energy: -78.566344 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -15.320 flat angles C4'-P-C4' energy: -16.799 flat angles P-C4'-P energy: -13.049 tors. eta vs tors. theta energy: -19.655 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: 239 Temperature: 1.050000 Total energy: -280.762283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.762283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.762283 (E_RNA) where: Base-Base interactions energy: -199.181 where: short stacking energy: -89.945 Base-Backbone interact. energy: 0.069 local terms energy: -81.650215 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -16.938 flat angles C4'-P-C4' energy: -19.072 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -20.870 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: 239 Temperature: 1.100000 Total energy: -264.869750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.869750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.869750 (E_RNA) where: Base-Base interactions energy: -196.897 where: short stacking energy: -75.276 Base-Backbone interact. energy: -0.163 local terms energy: -67.809934 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -16.060 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -18.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -252.162419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.162419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.162419 (E_RNA) where: Base-Base interactions energy: -184.352 where: short stacking energy: -71.242 Base-Backbone interact. energy: -0.128 local terms energy: -67.682427 where: bonds (distance) C4'-P energy: -15.636 bonds (distance) P-C4' energy: -15.725 flat angles C4'-P-C4' energy: -15.741 flat angles P-C4'-P energy: -8.792 tors. eta vs tors. theta energy: -11.788 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: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -204.159344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.159344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.159344 (E_RNA) where: Base-Base interactions energy: -142.438 where: short stacking energy: -70.556 Base-Backbone interact. energy: -0.109 local terms energy: -61.612081 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -11.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -204.852241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.852241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.852241 (E_RNA) where: Base-Base interactions energy: -137.704 where: short stacking energy: -67.008 Base-Backbone interact. energy: -0.257 local terms energy: -66.890938 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -14.475 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -14.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -204.376760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.376760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.376760 (E_RNA) where: Base-Base interactions energy: -139.090 where: short stacking energy: -61.218 Base-Backbone interact. energy: -0.115 local terms energy: -65.171875 where: bonds (distance) C4'-P energy: -16.493 bonds (distance) P-C4' energy: -14.365 flat angles C4'-P-C4' energy: -15.135 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -12.846 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: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -104.023167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.023167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.023167 (E_RNA) where: Base-Base interactions energy: -56.076 where: short stacking energy: -46.458 Base-Backbone interact. energy: -0.007 local terms energy: -47.940004 where: bonds (distance) C4'-P energy: -14.855 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -2.198 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -286.177320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.177320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.177320 (E_RNA) where: Base-Base interactions energy: -209.191 where: short stacking energy: -86.583 Base-Backbone interact. energy: -1.065 local terms energy: -75.920896 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -18.911 flat angles C4'-P-C4' energy: -17.558 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -20.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -282.629582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.629582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.629582 (E_RNA) where: Base-Base interactions energy: -197.427 where: short stacking energy: -81.769 Base-Backbone interact. energy: -1.430 local terms energy: -83.772908 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -19.151 flat angles C4'-P-C4' energy: -16.725 flat angles P-C4'-P energy: -14.611 tors. eta vs tors. theta energy: -18.021 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: 10 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -278.718561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.718561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.718561 (E_RNA) where: Base-Base interactions energy: -194.444 where: short stacking energy: -83.732 Base-Backbone interact. energy: -1.763 local terms energy: -82.511572 where: bonds (distance) C4'-P energy: -18.707 bonds (distance) P-C4' energy: -16.667 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -21.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -276.631408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.631408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.631408 (E_RNA) where: Base-Base interactions energy: -187.856 where: short stacking energy: -76.711 Base-Backbone interact. energy: -0.124 local terms energy: -88.651183 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -18.537 flat angles C4'-P-C4' energy: -19.817 flat angles P-C4'-P energy: -13.148 tors. eta vs tors. theta energy: -20.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -254.158701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.158701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.158701 (E_RNA) where: Base-Base interactions energy: -187.186 where: short stacking energy: -74.424 Base-Backbone interact. energy: -0.411 local terms energy: -66.560910 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -10.696 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -16.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -266.678108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.678108 (E_RNA) where: Base-Base interactions energy: -182.943 where: short stacking energy: -78.244 Base-Backbone interact. energy: 0.433 local terms energy: -84.167603 where: bonds (distance) C4'-P energy: -18.043 bonds (distance) P-C4' energy: -17.999 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -11.266 tors. eta vs tors. theta energy: -18.657 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: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -218.816235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.816235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.816235 (E_RNA) where: Base-Base interactions energy: -142.381 where: short stacking energy: -64.945 Base-Backbone interact. energy: -0.920 local terms energy: -75.514658 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -18.387 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -16.230 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: 240 Temperature: 1.250000 Total energy: -212.383585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.383585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.383585 (E_RNA) where: Base-Base interactions energy: -136.156 where: short stacking energy: -72.874 Base-Backbone interact. energy: 0.002 local terms energy: -76.229625 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -16.983 flat angles P-C4'-P energy: -9.058 tors. eta vs tors. theta energy: -16.212 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: 240 Temperature: 1.300000 Total energy: -196.568140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.568140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.568140 (E_RNA) where: Base-Base interactions energy: -133.168 where: short stacking energy: -63.877 Base-Backbone interact. energy: -0.912 local terms energy: -62.488495 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -15.419 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -97.847296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.847296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.847296 (E_RNA) where: Base-Base interactions energy: -40.754 where: short stacking energy: -40.754 Base-Backbone interact. energy: -0.114 local terms energy: -56.979833 where: bonds (distance) C4'-P energy: -16.498 bonds (distance) P-C4' energy: -16.375 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -283.415677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.415677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.415677 (E_RNA) where: Base-Base interactions energy: -197.249 where: short stacking energy: -83.052 Base-Backbone interact. energy: -0.329 local terms energy: -85.837526 where: bonds (distance) C4'-P energy: -18.692 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -17.932 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -21.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -290.869674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.869674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.869674 (E_RNA) where: Base-Base interactions energy: -206.512 where: short stacking energy: -79.344 Base-Backbone interact. energy: 0.716 local terms energy: -85.074230 where: bonds (distance) C4'-P energy: -17.821 bonds (distance) P-C4' energy: -17.853 flat angles C4'-P-C4' energy: -19.134 flat angles P-C4'-P energy: -11.570 tors. eta vs tors. theta energy: -18.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -282.029729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.029729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.029729 (E_RNA) where: Base-Base interactions energy: -202.976 where: short stacking energy: -87.380 Base-Backbone interact. energy: -0.392 local terms energy: -78.662554 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -14.750 tors. eta vs tors. theta energy: -18.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -264.038117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.038117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.038117 (E_RNA) where: Base-Base interactions energy: -189.433 where: short stacking energy: -75.283 Base-Backbone interact. energy: -0.242 local terms energy: -74.362982 where: bonds (distance) C4'-P energy: -16.571 bonds (distance) P-C4' energy: -16.355 flat angles C4'-P-C4' energy: -16.458 flat angles P-C4'-P energy: -14.183 tors. eta vs tors. theta energy: -10.796 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: 5, replica: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -270.648779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.648779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.648779 (E_RNA) where: Base-Base interactions energy: -192.731 where: short stacking energy: -79.791 Base-Backbone interact. energy: -0.904 local terms energy: -77.013201 where: bonds (distance) C4'-P energy: -18.894 bonds (distance) P-C4' energy: -12.064 flat angles C4'-P-C4' energy: -16.418 flat angles P-C4'-P energy: -11.078 tors. eta vs tors. theta energy: -18.559 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: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -264.403812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.403812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.403812 (E_RNA) where: Base-Base interactions energy: -188.001 where: short stacking energy: -76.820 Base-Backbone interact. energy: -0.591 local terms energy: -75.811308 where: bonds (distance) C4'-P energy: -15.338 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -16.746 flat angles P-C4'-P energy: -8.495 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -202.101387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.101387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.101387 (E_RNA) where: Base-Base interactions energy: -126.427 where: short stacking energy: -55.836 Base-Backbone interact. energy: -0.125 local terms energy: -75.549663 where: bonds (distance) C4'-P energy: -16.803 bonds (distance) P-C4' energy: -17.321 flat angles C4'-P-C4' energy: -18.140 flat angles P-C4'-P energy: -12.845 tors. eta vs tors. theta energy: -10.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -215.700568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.700568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.700568 (E_RNA) where: Base-Base interactions energy: -137.637 where: short stacking energy: -62.746 Base-Backbone interact. energy: -0.204 local terms energy: -77.859605 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -18.172 flat angles C4'-P-C4' energy: -19.270 flat angles P-C4'-P energy: -13.145 tors. eta vs tors. theta energy: -16.621 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: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -201.243136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.243136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.243136 (E_RNA) where: Base-Base interactions energy: -128.820 where: short stacking energy: -60.114 Base-Backbone interact. energy: 0.137 local terms energy: -72.560082 where: bonds (distance) C4'-P energy: -13.353 bonds (distance) P-C4' energy: -18.133 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -16.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -105.915160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.915160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.915160 (E_RNA) where: Base-Base interactions energy: -50.507 where: short stacking energy: -33.791 Base-Backbone interact. energy: -0.025 local terms energy: -55.382672 where: bonds (distance) C4'-P energy: -18.000 bonds (distance) P-C4' energy: -18.963 flat angles C4'-P-C4' energy: -10.860 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: 2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -285.759350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.759350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.759350 (E_RNA) where: Base-Base interactions energy: -200.795 where: short stacking energy: -87.130 Base-Backbone interact. energy: -0.482 local terms energy: -84.482533 where: bonds (distance) C4'-P energy: -18.091 bonds (distance) P-C4' energy: -19.408 flat angles C4'-P-C4' energy: -16.050 flat angles P-C4'-P energy: -12.463 tors. eta vs tors. theta energy: -18.470 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: 2, replica: 1 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -280.836822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.836822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.836822 (E_RNA) where: Base-Base interactions energy: -202.555 where: short stacking energy: -85.211 Base-Backbone interact. energy: 3.803 local terms energy: -82.084893 where: bonds (distance) C4'-P energy: -18.878 bonds (distance) P-C4' energy: -16.916 flat angles C4'-P-C4' energy: -17.328 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -20.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -267.880430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.880430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.880430 (E_RNA) where: Base-Base interactions energy: -194.939 where: short stacking energy: -82.455 Base-Backbone interact. energy: -2.065 local terms energy: -70.875918 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -15.968 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -274.727110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.727110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.727110 (E_RNA) where: Base-Base interactions energy: -192.355 where: short stacking energy: -84.343 Base-Backbone interact. energy: -0.249 local terms energy: -82.123775 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -19.079 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -19.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -260.395519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.395519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.395519 (E_RNA) where: Base-Base interactions energy: -184.960 where: short stacking energy: -72.574 Base-Backbone interact. energy: -1.479 local terms energy: -73.956935 where: bonds (distance) C4'-P energy: -15.190 bonds (distance) P-C4' energy: -16.095 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -17.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -266.062385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.062385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.062385 (E_RNA) where: Base-Base interactions energy: -193.346 where: short stacking energy: -82.480 Base-Backbone interact. energy: -0.481 local terms energy: -72.236048 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -15.618 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -21.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -208.268147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.268147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.268147 (E_RNA) where: Base-Base interactions energy: -144.854 where: short stacking energy: -70.456 Base-Backbone interact. energy: -0.057 local terms energy: -63.356590 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -10.548 tors. eta vs tors. theta energy: -14.926 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: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -203.876626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.876626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.876626 (E_RNA) where: Base-Base interactions energy: -140.816 where: short stacking energy: -64.217 Base-Backbone interact. energy: -0.070 local terms energy: -62.991482 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -10.052 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -11.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -204.722971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.722971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.722971 (E_RNA) where: Base-Base interactions energy: -142.708 where: short stacking energy: -59.091 Base-Backbone interact. energy: -0.385 local terms energy: -61.630298 where: bonds (distance) C4'-P energy: -10.437 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -18.117 flat angles P-C4'-P energy: -12.309 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: 10, replica: 9 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -127.568760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.568760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.568760 (E_RNA) where: Base-Base interactions energy: -70.926 where: short stacking energy: -37.243 Base-Backbone interact. energy: -0.154 local terms energy: -56.488953 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -17.968 flat angles C4'-P-C4' energy: -16.776 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -281.473190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.473190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.473190 (E_RNA) where: Base-Base interactions energy: -203.472 where: short stacking energy: -87.841 Base-Backbone interact. energy: -0.139 local terms energy: -77.861845 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -17.922 flat angles C4'-P-C4' energy: -16.778 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -18.294 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: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -269.903637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.903637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.903637 (E_RNA) where: Base-Base interactions energy: -191.124 where: short stacking energy: -75.396 Base-Backbone interact. energy: -0.483 local terms energy: -78.296356 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -11.883 tors. eta vs tors. theta energy: -17.456 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: 1 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -265.088586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.088586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.088586 (E_RNA) where: Base-Base interactions energy: -182.652 where: short stacking energy: -76.140 Base-Backbone interact. energy: -0.066 local terms energy: -82.371203 where: bonds (distance) C4'-P energy: -18.058 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -17.713 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -20.662 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: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -274.738436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.738436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.738436 (E_RNA) where: Base-Base interactions energy: -196.881 where: short stacking energy: -74.197 Base-Backbone interact. energy: -0.667 local terms energy: -77.190862 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -17.852 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -18.067 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: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -270.374122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.374122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.374122 (E_RNA) where: Base-Base interactions energy: -201.311 where: short stacking energy: -83.510 Base-Backbone interact. energy: 0.372 local terms energy: -69.435056 where: bonds (distance) C4'-P energy: -10.101 bonds (distance) P-C4' energy: -15.974 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -268.134524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.134524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.134524 (E_RNA) where: Base-Base interactions energy: -193.549 where: short stacking energy: -81.350 Base-Backbone interact. energy: -0.205 local terms energy: -74.380107 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -17.777 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -18.902 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: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -206.111381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.111381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.111381 (E_RNA) where: Base-Base interactions energy: -139.770 where: short stacking energy: -54.844 Base-Backbone interact. energy: -0.314 local terms energy: -66.027114 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -16.350 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -9.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -205.461618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.461618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.461618 (E_RNA) where: Base-Base interactions energy: -136.888 where: short stacking energy: -74.816 Base-Backbone interact. energy: -0.052 local terms energy: -68.522000 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -16.823 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -199.885896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.885896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.885896 (E_RNA) where: Base-Base interactions energy: -135.085 where: short stacking energy: -55.592 Base-Backbone interact. energy: -0.336 local terms energy: -64.464918 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -11.136 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: 9 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -139.021291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.021291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.021291 (E_RNA) where: Base-Base interactions energy: -80.399 where: short stacking energy: -50.566 Base-Backbone interact. energy: -1.556 local terms energy: -57.066473 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -10.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -274.248018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.248018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.248018 (E_RNA) where: Base-Base interactions energy: -199.248 where: short stacking energy: -79.309 Base-Backbone interact. energy: -0.657 local terms energy: -74.343037 where: bonds (distance) C4'-P energy: -18.149 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -15.558 flat angles P-C4'-P energy: -12.065 tors. eta vs tors. theta energy: -13.442 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: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -280.454461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.454461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.454461 (E_RNA) where: Base-Base interactions energy: -203.076 where: short stacking energy: -87.862 Base-Backbone interact. energy: 0.578 local terms energy: -77.956343 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -17.554 flat angles C4'-P-C4' energy: -17.528 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -21.453 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: 244 Temperature: 1.000000 Total energy: -272.861328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.861328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.861328 (E_RNA) where: Base-Base interactions energy: -188.777 where: short stacking energy: -83.206 Base-Backbone interact. energy: -0.233 local terms energy: -83.851270 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -16.895 flat angles P-C4'-P energy: -13.094 tors. eta vs tors. theta energy: -22.273 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: 244 Temperature: 1.050000 Total energy: -281.449466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.449466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.449466 (E_RNA) where: Base-Base interactions energy: -197.848 where: short stacking energy: -87.107 Base-Backbone interact. energy: -0.075 local terms energy: -83.526455 where: bonds (distance) C4'-P energy: -17.436 bonds (distance) P-C4' energy: -17.189 flat angles C4'-P-C4' energy: -20.140 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -272.204132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.204132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.204132 (E_RNA) where: Base-Base interactions energy: -192.570 where: short stacking energy: -74.670 Base-Backbone interact. energy: -1.023 local terms energy: -78.611251 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -16.114 flat angles P-C4'-P energy: -14.430 tors. eta vs tors. theta energy: -17.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -264.050188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.050188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.050188 (E_RNA) where: Base-Base interactions energy: -194.042 where: short stacking energy: -85.053 Base-Backbone interact. energy: -0.107 local terms energy: -69.901041 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -18.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -217.446834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.446834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.446834 (E_RNA) where: Base-Base interactions energy: -144.207 where: short stacking energy: -74.310 Base-Backbone interact. energy: -0.046 local terms energy: -73.193476 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -18.172 flat angles C4'-P-C4' energy: -18.275 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -197.392212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.392212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.392212 (E_RNA) where: Base-Base interactions energy: -122.446 where: short stacking energy: -58.279 Base-Backbone interact. energy: 0.245 local terms energy: -75.191878 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -18.004 flat angles P-C4'-P energy: -11.823 tors. eta vs tors. theta energy: -16.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -198.647498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.647498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.647498 (E_RNA) where: Base-Base interactions energy: -129.919 where: short stacking energy: -63.189 Base-Backbone interact. energy: 0.552 local terms energy: -69.280308 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -18.298 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -13.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -102.676590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.676590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.676590 (E_RNA) where: Base-Base interactions energy: -44.537 where: short stacking energy: -32.210 Base-Backbone interact. energy: -0.150 local terms energy: -57.990263 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -17.428 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -274.823781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.823781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.823781 (E_RNA) where: Base-Base interactions energy: -201.809 where: short stacking energy: -81.561 Base-Backbone interact. energy: -1.293 local terms energy: -71.721538 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -18.834 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -16.347 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: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -281.631227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.631227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.631227 (E_RNA) where: Base-Base interactions energy: -201.249 where: short stacking energy: -89.720 Base-Backbone interact. energy: -0.265 local terms energy: -80.117421 where: bonds (distance) C4'-P energy: -16.791 bonds (distance) P-C4' energy: -17.023 flat angles C4'-P-C4' energy: -15.666 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -22.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -277.134437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.134437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.134437 (E_RNA) where: Base-Base interactions energy: -198.775 where: short stacking energy: -80.643 Base-Backbone interact. energy: -0.447 local terms energy: -77.912480 where: bonds (distance) C4'-P energy: -17.279 bonds (distance) P-C4' energy: -18.206 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -19.775 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: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -273.004871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.004871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.004871 (E_RNA) where: Base-Base interactions energy: -196.929 where: short stacking energy: -83.736 Base-Backbone interact. energy: -1.101 local terms energy: -74.974118 where: bonds (distance) C4'-P energy: -17.188 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -9.959 flat angles P-C4'-P energy: -13.637 tors. eta vs tors. theta energy: -17.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -259.743370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.743370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.743370 (E_RNA) where: Base-Base interactions energy: -177.213 where: short stacking energy: -79.894 Base-Backbone interact. energy: -0.789 local terms energy: -81.741362 where: bonds (distance) C4'-P energy: -16.157 bonds (distance) P-C4' energy: -17.003 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -266.301273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.301273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.301273 (E_RNA) where: Base-Base interactions energy: -193.389 where: short stacking energy: -83.072 Base-Backbone interact. energy: -0.112 local terms energy: -72.800884 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -18.985 flat angles C4'-P-C4' energy: -16.172 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -202.206242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.206242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.206242 (E_RNA) where: Base-Base interactions energy: -138.653 where: short stacking energy: -64.374 Base-Backbone interact. energy: -0.073 local terms energy: -63.480108 where: bonds (distance) C4'-P energy: -16.007 bonds (distance) P-C4' energy: -13.139 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -13.236 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: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -204.642411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.642411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.642411 (E_RNA) where: Base-Base interactions energy: -131.267 where: short stacking energy: -68.690 Base-Backbone interact. energy: -0.018 local terms energy: -73.357487 where: bonds (distance) C4'-P energy: -19.618 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -15.801 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -13.346 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: 245 Temperature: 1.300000 Total energy: -198.334066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.334066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.334066 (E_RNA) where: Base-Base interactions energy: -140.708 where: short stacking energy: -64.111 Base-Backbone interact. energy: -0.257 local terms energy: -57.368838 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -9.164 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -12.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -103.907582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.907582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.907582 (E_RNA) where: Base-Base interactions energy: -53.704 where: short stacking energy: -53.704 Base-Backbone interact. energy: -0.057 local terms energy: -50.145829 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -16.663 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -11.920 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: 5 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -282.241700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.241700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.241700 (E_RNA) where: Base-Base interactions energy: -204.356 where: short stacking energy: -80.606 Base-Backbone interact. energy: -1.282 local terms energy: -76.603024 where: bonds (distance) C4'-P energy: -19.875 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -12.368 tors. eta vs tors. theta energy: -12.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -278.565788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.565788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.565788 (E_RNA) where: Base-Base interactions energy: -200.311 where: short stacking energy: -83.430 Base-Backbone interact. energy: -0.280 local terms energy: -77.973932 where: bonds (distance) C4'-P energy: -17.037 bonds (distance) P-C4' energy: -17.777 flat angles C4'-P-C4' energy: -16.546 flat angles P-C4'-P energy: -7.378 tors. eta vs tors. theta energy: -19.235 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: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -272.595619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.595619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.595619 (E_RNA) where: Base-Base interactions energy: -199.210 where: short stacking energy: -79.281 Base-Backbone interact. energy: -0.971 local terms energy: -72.414693 where: bonds (distance) C4'-P energy: -15.488 bonds (distance) P-C4' energy: -14.880 flat angles C4'-P-C4' energy: -10.291 flat angles P-C4'-P energy: -13.345 tors. eta vs tors. theta energy: -18.411 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: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -274.410067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.410067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.410067 (E_RNA) where: Base-Base interactions energy: -202.073 where: short stacking energy: -87.926 Base-Backbone interact. energy: 0.123 local terms energy: -72.459705 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -17.832 flat angles C4'-P-C4' energy: -16.188 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -17.193 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: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -271.286742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.286742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.286742 (E_RNA) where: Base-Base interactions energy: -190.530 where: short stacking energy: -85.684 Base-Backbone interact. energy: -0.227 local terms energy: -80.529024 where: bonds (distance) C4'-P energy: -18.745 bonds (distance) P-C4' energy: -16.651 flat angles C4'-P-C4' energy: -16.348 flat angles P-C4'-P energy: -9.977 tors. eta vs tors. theta energy: -18.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -255.180800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.180800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.180800 (E_RNA) where: Base-Base interactions energy: -192.448 where: short stacking energy: -73.949 Base-Backbone interact. energy: -0.166 local terms energy: -62.566498 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -14.260 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: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -217.327461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.327461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.327461 (E_RNA) where: Base-Base interactions energy: -146.508 where: short stacking energy: -67.492 Base-Backbone interact. energy: -0.022 local terms energy: -70.796960 where: bonds (distance) C4'-P energy: -17.271 bonds (distance) P-C4' energy: -13.496 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -10.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -200.365736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.365736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.365736 (E_RNA) where: Base-Base interactions energy: -131.974 where: short stacking energy: -64.571 Base-Backbone interact. energy: 0.763 local terms energy: -69.154642 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -16.281 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -16.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -188.447175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.447175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.447175 (E_RNA) where: Base-Base interactions energy: -130.086 where: short stacking energy: -47.852 Base-Backbone interact. energy: 0.685 local terms energy: -59.045713 where: bonds (distance) C4'-P energy: -10.466 bonds (distance) P-C4' energy: -18.795 flat angles C4'-P-C4' energy: -12.946 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -9.439 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: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -104.802625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.802625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.802625 (E_RNA) where: Base-Base interactions energy: -54.926 where: short stacking energy: -33.615 Base-Backbone interact. energy: -0.208 local terms energy: -49.668636 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -281.025334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.025334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.025334 (E_RNA) where: Base-Base interactions energy: -201.989 where: short stacking energy: -81.369 Base-Backbone interact. energy: -0.210 local terms energy: -78.825615 where: bonds (distance) C4'-P energy: -18.220 bonds (distance) P-C4' energy: -16.535 flat angles C4'-P-C4' energy: -18.718 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -14.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -282.861701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.861701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.861701 (E_RNA) where: Base-Base interactions energy: -201.765 where: short stacking energy: -83.123 Base-Backbone interact. energy: -1.489 local terms energy: -79.608565 where: bonds (distance) C4'-P energy: -15.346 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -17.590 flat angles P-C4'-P energy: -13.251 tors. eta vs tors. theta energy: -16.792 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: 10 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -277.764665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.764665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.764665 (E_RNA) where: Base-Base interactions energy: -194.658 where: short stacking energy: -85.606 Base-Backbone interact. energy: -0.105 local terms energy: -83.002239 where: bonds (distance) C4'-P energy: -14.887 bonds (distance) P-C4' energy: -18.886 flat angles C4'-P-C4' energy: -17.780 flat angles P-C4'-P energy: -11.657 tors. eta vs tors. theta energy: -19.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -271.494119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.494119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.494119 (E_RNA) where: Base-Base interactions energy: -190.969 where: short stacking energy: -81.147 Base-Backbone interact. energy: -0.374 local terms energy: -80.151045 where: bonds (distance) C4'-P energy: -18.655 bonds (distance) P-C4' energy: -12.791 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -21.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -272.340652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.340652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.340652 (E_RNA) where: Base-Base interactions energy: -198.200 where: short stacking energy: -82.025 Base-Backbone interact. energy: 1.966 local terms energy: -76.106385 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -12.337 flat angles P-C4'-P energy: -11.732 tors. eta vs tors. theta energy: -21.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -246.322980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.322980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.322980 (E_RNA) where: Base-Base interactions energy: -169.536 where: short stacking energy: -62.216 Base-Backbone interact. energy: -0.089 local terms energy: -76.698001 where: bonds (distance) C4'-P energy: -18.455 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -16.378 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -16.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -208.615243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.615243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.615243 (E_RNA) where: Base-Base interactions energy: -138.400 where: short stacking energy: -61.657 Base-Backbone interact. energy: -0.162 local terms energy: -70.053496 where: bonds (distance) C4'-P energy: -8.864 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -16.877 flat angles P-C4'-P energy: -14.081 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -204.297437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.297437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.297437 (E_RNA) where: Base-Base interactions energy: -137.013 where: short stacking energy: -68.435 Base-Backbone interact. energy: -0.009 local terms energy: -67.275750 where: bonds (distance) C4'-P energy: -16.389 bonds (distance) P-C4' energy: -17.756 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -10.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -210.639409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.639409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.639409 (E_RNA) where: Base-Base interactions energy: -141.664 where: short stacking energy: -59.882 Base-Backbone interact. energy: 1.503 local terms energy: -70.478500 where: bonds (distance) C4'-P energy: -17.159 bonds (distance) P-C4' energy: -12.497 flat angles C4'-P-C4' energy: -16.622 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -12.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -122.940968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.940968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.940968 (E_RNA) where: Base-Base interactions energy: -64.295 where: short stacking energy: -37.500 Base-Backbone interact. energy: -0.008 local terms energy: -58.637478 where: bonds (distance) C4'-P energy: -18.488 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -11.556 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -283.398286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.398286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.398286 (E_RNA) where: Base-Base interactions energy: -196.207 where: short stacking energy: -82.027 Base-Backbone interact. energy: 0.273 local terms energy: -87.464086 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -16.304 flat angles P-C4'-P energy: -14.829 tors. eta vs tors. theta energy: -25.013 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: 248 Temperature: 0.950000 Total energy: -268.407156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.407156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.407156 (E_RNA) where: Base-Base interactions energy: -194.963 where: short stacking energy: -75.763 Base-Backbone interact. energy: -1.249 local terms energy: -72.195588 where: bonds (distance) C4'-P energy: -18.363 bonds (distance) P-C4' energy: -15.317 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -12.369 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: 3, replica: 10 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -274.154873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.154873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.154873 (E_RNA) where: Base-Base interactions energy: -198.933 where: short stacking energy: -84.097 Base-Backbone interact. energy: -0.749 local terms energy: -74.473347 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -17.889 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -11.408 tors. eta vs tors. theta energy: -18.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -260.286613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.286613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.286613 (E_RNA) where: Base-Base interactions energy: -183.806 where: short stacking energy: -74.205 Base-Backbone interact. energy: -0.332 local terms energy: -76.148075 where: bonds (distance) C4'-P energy: -15.956 bonds (distance) P-C4' energy: -11.280 flat angles C4'-P-C4' energy: -16.965 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -21.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -269.187769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.187769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.187769 (E_RNA) where: Base-Base interactions energy: -193.154 where: short stacking energy: -77.158 Base-Backbone interact. energy: -1.238 local terms energy: -74.795395 where: bonds (distance) C4'-P energy: -13.094 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -15.307 tors. eta vs tors. theta energy: -19.645 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: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -257.872544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.872544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.872544 (E_RNA) where: Base-Base interactions energy: -194.120 where: short stacking energy: -77.768 Base-Backbone interact. energy: -0.356 local terms energy: -63.397269 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -15.161 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: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -214.413745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.413745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.413745 (E_RNA) where: Base-Base interactions energy: -148.775 where: short stacking energy: -72.457 Base-Backbone interact. energy: -0.069 local terms energy: -65.570257 where: bonds (distance) C4'-P energy: -14.488 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -11.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -213.803487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.803487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.803487 (E_RNA) where: Base-Base interactions energy: -147.023 where: short stacking energy: -69.715 Base-Backbone interact. energy: -0.109 local terms energy: -66.672293 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -17.889 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -13.376 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: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -147.288613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.288613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.288613 (E_RNA) where: Base-Base interactions energy: -89.300 where: short stacking energy: -50.137 Base-Backbone interact. energy: -0.208 local terms energy: -57.780264 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -17.689 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -10.128 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: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -181.843123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.843123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.843123 (E_RNA) where: Base-Base interactions energy: -125.918 where: short stacking energy: -58.901 Base-Backbone interact. energy: -0.093 local terms energy: -55.832958 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -12.211 tors. eta vs tors. theta energy: -9.068 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: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -281.367215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.367215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.367215 (E_RNA) where: Base-Base interactions energy: -197.258 where: short stacking energy: -82.559 Base-Backbone interact. energy: -0.395 local terms energy: -83.714023 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -17.257 flat angles C4'-P-C4' energy: -18.022 flat angles P-C4'-P energy: -13.525 tors. eta vs tors. theta energy: -21.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -281.579704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.579704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.579704 (E_RNA) where: Base-Base interactions energy: -202.507 where: short stacking energy: -86.445 Base-Backbone interact. energy: -0.165 local terms energy: -78.907996 where: bonds (distance) C4'-P energy: -15.951 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -21.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -264.864777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.864777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.864777 (E_RNA) where: Base-Base interactions energy: -190.406 where: short stacking energy: -74.837 Base-Backbone interact. energy: -1.620 local terms energy: -72.839025 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -17.929 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -13.404 tors. eta vs tors. theta energy: -10.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -276.005638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.005638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.005638 (E_RNA) where: Base-Base interactions energy: -203.339 where: short stacking energy: -85.659 Base-Backbone interact. energy: 0.425 local terms energy: -73.091751 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -16.195 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -274.365028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.365028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.365028 (E_RNA) where: Base-Base interactions energy: -198.628 where: short stacking energy: -83.460 Base-Backbone interact. energy: -0.103 local terms energy: -75.633878 where: bonds (distance) C4'-P energy: -15.976 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -17.000 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -19.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -261.358374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.358374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.358374 (E_RNA) where: Base-Base interactions energy: -191.505 where: short stacking energy: -75.827 Base-Backbone interact. energy: -0.342 local terms energy: -69.511686 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -15.171 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -18.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -209.622732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.622732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.622732 (E_RNA) where: Base-Base interactions energy: -147.272 where: short stacking energy: -64.194 Base-Backbone interact. energy: 2.066 local terms energy: -64.416116 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.351 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -13.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -206.904725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.904725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.904725 (E_RNA) where: Base-Base interactions energy: -142.137 where: short stacking energy: -68.990 Base-Backbone interact. energy: -0.114 local terms energy: -64.654230 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -17.957 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -169.711695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.711695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.711695 (E_RNA) where: Base-Base interactions energy: -106.819 where: short stacking energy: -50.945 Base-Backbone interact. energy: -0.707 local terms energy: -62.186247 where: bonds (distance) C4'-P energy: -16.908 bonds (distance) P-C4' energy: -13.446 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -12.491 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: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -174.335313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.335313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.335313 (E_RNA) where: Base-Base interactions energy: -112.478 where: short stacking energy: -45.318 Base-Backbone interact. energy: -0.365 local terms energy: -61.492531 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -18.084 flat angles C4'-P-C4' energy: -10.482 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -10.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -285.599267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.599267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.599267 (E_RNA) where: Base-Base interactions energy: -202.786 where: short stacking energy: -89.406 Base-Backbone interact. energy: -0.159 local terms energy: -82.654003 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -17.054 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -12.059 tors. eta vs tors. theta energy: -21.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -278.541788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.541788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.541788 (E_RNA) where: Base-Base interactions energy: -198.091 where: short stacking energy: -81.920 Base-Backbone interact. energy: -0.831 local terms energy: -79.620089 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -17.197 flat angles C4'-P-C4' energy: -17.386 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -18.118 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: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -266.553459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.553459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.553459 (E_RNA) where: Base-Base interactions energy: -191.416 where: short stacking energy: -72.713 Base-Backbone interact. energy: -1.567 local terms energy: -73.569844 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -14.860 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: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -277.274708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.274708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.274708 (E_RNA) where: Base-Base interactions energy: -199.412 where: short stacking energy: -82.341 Base-Backbone interact. energy: 0.537 local terms energy: -78.400030 where: bonds (distance) C4'-P energy: -17.056 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -12.322 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: -20.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -261.990127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.990127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.990127 (E_RNA) where: Base-Base interactions energy: -188.180 where: short stacking energy: -76.094 Base-Backbone interact. energy: -0.147 local terms energy: -73.663128 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -20.217 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: 6 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -262.699579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.699579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.699579 (E_RNA) where: Base-Base interactions energy: -193.148 where: short stacking energy: -76.144 Base-Backbone interact. energy: -1.233 local terms energy: -68.318244 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -11.302 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -18.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -215.789088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.789088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.789088 (E_RNA) where: Base-Base interactions energy: -146.247 where: short stacking energy: -80.795 Base-Backbone interact. energy: -0.224 local terms energy: -69.318021 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -17.457 flat angles C4'-P-C4' energy: -17.092 flat angles P-C4'-P energy: -6.959 tors. eta vs tors. theta energy: -14.021 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: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -194.234873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.234873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.234873 (E_RNA) where: Base-Base interactions energy: -130.984 where: short stacking energy: -54.260 Base-Backbone interact. energy: 2.323 local terms energy: -65.573799 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -14.862 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -10.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -165.930643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.930643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.930643 (E_RNA) where: Base-Base interactions energy: -99.696 where: short stacking energy: -63.091 Base-Backbone interact. energy: -0.140 local terms energy: -66.094741 where: bonds (distance) C4'-P energy: -18.124 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -11.169 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -10.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -173.351506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.351506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.351506 (E_RNA) where: Base-Base interactions energy: -112.698 where: short stacking energy: -54.177 Base-Backbone interact. energy: -0.086 local terms energy: -60.567060 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -14.463 tors. eta vs tors. theta energy: -7.740 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: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -286.839009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.839009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.839009 (E_RNA) where: Base-Base interactions energy: -205.695 where: short stacking energy: -88.195 Base-Backbone interact. energy: -1.533 local terms energy: -79.610816 where: bonds (distance) C4'-P energy: -17.196 bonds (distance) P-C4' energy: -17.906 flat angles C4'-P-C4' energy: -17.661 flat angles P-C4'-P energy: -7.920 tors. eta vs tors. theta energy: -18.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -269.246178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.246178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.246178 (E_RNA) where: Base-Base interactions energy: -196.428 where: short stacking energy: -75.051 Base-Backbone interact. energy: -0.176 local terms energy: -72.641602 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -13.668 flat angles C4'-P-C4' energy: -17.286 flat angles P-C4'-P energy: -14.808 tors. eta vs tors. theta energy: -15.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -276.879202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.879202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.879202 (E_RNA) where: Base-Base interactions energy: -198.468 where: short stacking energy: -83.850 Base-Backbone interact. energy: -0.605 local terms energy: -77.806200 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -15.615 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -21.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -272.125864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.125864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.125864 (E_RNA) where: Base-Base interactions energy: -194.462 where: short stacking energy: -82.243 Base-Backbone interact. energy: -0.234 local terms energy: -77.429821 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -19.219 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -20.873 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: 3 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -270.387994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.387994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.387994 (E_RNA) where: Base-Base interactions energy: -193.081 where: short stacking energy: -80.895 Base-Backbone interact. energy: -1.651 local terms energy: -75.655338 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -12.432 tors. eta vs tors. theta energy: -20.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -263.534903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.534903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.534903 (E_RNA) where: Base-Base interactions energy: -186.868 where: short stacking energy: -77.928 Base-Backbone interact. energy: 0.763 local terms energy: -77.430347 where: bonds (distance) C4'-P energy: -16.573 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -16.227 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -199.741561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.741561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.741561 (E_RNA) where: Base-Base interactions energy: -128.934 where: short stacking energy: -58.795 Base-Backbone interact. energy: -0.029 local terms energy: -70.779076 where: bonds (distance) C4'-P energy: -17.047 bonds (distance) P-C4' energy: -18.011 flat angles C4'-P-C4' energy: -17.959 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -10.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -220.749406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.749406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.749406 (E_RNA) where: Base-Base interactions energy: -150.715 where: short stacking energy: -66.678 Base-Backbone interact. energy: -0.089 local terms energy: -69.945017 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -14.905 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: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -206.150530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.150530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.150530 (E_RNA) where: Base-Base interactions energy: -136.952 where: short stacking energy: -66.073 Base-Backbone interact. energy: -0.026 local terms energy: -69.173164 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -11.378 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -16.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -103.222514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.222514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.222514 (E_RNA) where: Base-Base interactions energy: -54.377 where: short stacking energy: -30.966 Base-Backbone interact. energy: -0.554 local terms energy: -48.291986 where: bonds (distance) C4'-P energy: -14.519 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -11.024 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -280.732212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.732212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.732212 (E_RNA) where: Base-Base interactions energy: -203.479 where: short stacking energy: -79.223 Base-Backbone interact. energy: -0.171 local terms energy: -77.081828 where: bonds (distance) C4'-P energy: -17.780 bonds (distance) P-C4' energy: -16.426 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -13.066 tors. eta vs tors. theta energy: -13.441 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: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -281.548429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.548429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.548429 (E_RNA) where: Base-Base interactions energy: -203.252 where: short stacking energy: -88.424 Base-Backbone interact. energy: -0.785 local terms energy: -77.511851 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -19.485 flat angles C4'-P-C4' energy: -18.289 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -20.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -279.315781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.315781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.315781 (E_RNA) where: Base-Base interactions energy: -196.043 where: short stacking energy: -85.219 Base-Backbone interact. energy: -0.347 local terms energy: -82.925376 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -18.218 flat angles C4'-P-C4' energy: -19.462 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -18.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -269.372031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.372031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.372031 (E_RNA) where: Base-Base interactions energy: -195.907 where: short stacking energy: -82.517 Base-Backbone interact. energy: -0.099 local terms energy: -73.366120 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -17.935 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -20.511 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: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -271.242494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.242494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.242494 (E_RNA) where: Base-Base interactions energy: -197.815 where: short stacking energy: -80.515 Base-Backbone interact. energy: 0.345 local terms energy: -73.772562 where: bonds (distance) C4'-P energy: -18.435 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -20.374 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: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -253.157645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.157645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.157645 (E_RNA) where: Base-Base interactions energy: -177.521 where: short stacking energy: -78.761 Base-Backbone interact. energy: -0.024 local terms energy: -75.613107 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -17.771 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -18.369 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: 2 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -204.650812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.650812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.650812 (E_RNA) where: Base-Base interactions energy: -141.199 where: short stacking energy: -63.386 Base-Backbone interact. energy: 1.195 local terms energy: -64.647358 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -9.323 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -14.346 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -211.316469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.316469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.316469 (E_RNA) where: Base-Base interactions energy: -140.408 where: short stacking energy: -64.537 Base-Backbone interact. energy: -0.361 local terms energy: -70.547803 where: bonds (distance) C4'-P energy: -10.228 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -12.852 tors. eta vs tors. theta energy: -14.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -199.866992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.866992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.866992 (E_RNA) where: Base-Base interactions energy: -135.457 where: short stacking energy: -65.234 Base-Backbone interact. energy: 4.666 local terms energy: -69.076062 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -11.935 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -90.098741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.098741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.098741 (E_RNA) where: Base-Base interactions energy: -44.169 where: short stacking energy: -30.794 Base-Backbone interact. energy: -0.271 local terms energy: -45.658645 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -277.123634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.123634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.123634 (E_RNA) where: Base-Base interactions energy: -201.227 where: short stacking energy: -85.826 Base-Backbone interact. energy: 0.623 local terms energy: -76.520334 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -16.480 flat angles P-C4'-P energy: -14.776 tors. eta vs tors. theta energy: -12.721 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: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -288.240202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.240202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.240202 (E_RNA) where: Base-Base interactions energy: -207.416 where: short stacking energy: -86.187 Base-Backbone interact. energy: -1.030 local terms energy: -79.794248 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -17.449 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -11.355 tors. eta vs tors. theta energy: -20.408 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: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -275.670311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.670311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.670311 (E_RNA) where: Base-Base interactions energy: -191.013 where: short stacking energy: -73.981 Base-Backbone interact. energy: -1.751 local terms energy: -82.906108 where: bonds (distance) C4'-P energy: -15.181 bonds (distance) P-C4' energy: -20.004 flat angles C4'-P-C4' energy: -17.241 flat angles P-C4'-P energy: -11.376 tors. eta vs tors. theta energy: -19.104 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: 1 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -279.022738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.022738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.022738 (E_RNA) where: Base-Base interactions energy: -202.274 where: short stacking energy: -80.156 Base-Backbone interact. energy: -2.319 local terms energy: -74.429226 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -16.525 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -19.295 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: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -262.679688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.679688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.679688 (E_RNA) where: Base-Base interactions energy: -186.048 where: short stacking energy: -76.739 Base-Backbone interact. energy: -0.246 local terms energy: -76.385574 where: bonds (distance) C4'-P energy: -18.100 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -11.556 tors. eta vs tors. theta energy: -18.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -236.355893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.355893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.355893 (E_RNA) where: Base-Base interactions energy: -164.429 where: short stacking energy: -60.492 Base-Backbone interact. energy: -0.639 local terms energy: -71.287637 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -15.641 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -15.962 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: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -256.424451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.424451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.424451 (E_RNA) where: Base-Base interactions energy: -183.583 where: short stacking energy: -72.424 Base-Backbone interact. energy: -1.717 local terms energy: -71.124276 where: bonds (distance) C4'-P energy: -10.970 bonds (distance) P-C4' energy: -17.618 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -19.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -203.170707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.170707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.170707 (E_RNA) where: Base-Base interactions energy: -139.408 where: short stacking energy: -70.877 Base-Backbone interact. energy: -0.083 local terms energy: -63.678898 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -12.142 flat angles P-C4'-P energy: -10.599 tors. eta vs tors. theta energy: -13.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -209.768030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.768030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.768030 (E_RNA) where: Base-Base interactions energy: -142.068 where: short stacking energy: -67.109 Base-Backbone interact. energy: -0.002 local terms energy: -67.698325 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -15.595 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: -13.673 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: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -93.917143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.917143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.917143 (E_RNA) where: Base-Base interactions energy: -32.897 where: short stacking energy: -32.847 Base-Backbone interact. energy: -0.153 local terms energy: -60.867641 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -16.353 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -11.599 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -289.388350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.388350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.388350 (E_RNA) where: Base-Base interactions energy: -206.850 where: short stacking energy: -92.067 Base-Backbone interact. energy: -0.738 local terms energy: -81.800513 where: bonds (distance) C4'-P energy: -17.090 bonds (distance) P-C4' energy: -19.532 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -12.288 tors. eta vs tors. theta energy: -20.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -271.505441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.505441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.505441 (E_RNA) where: Base-Base interactions energy: -197.228 where: short stacking energy: -77.218 Base-Backbone interact. energy: -1.159 local terms energy: -73.117569 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -19.749 flat angles C4'-P-C4' energy: -12.785 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -13.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -276.550515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.550515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.550515 (E_RNA) where: Base-Base interactions energy: -195.984 where: short stacking energy: -82.488 Base-Backbone interact. energy: -1.263 local terms energy: -79.303423 where: bonds (distance) C4'-P energy: -16.633 bonds (distance) P-C4' energy: -17.482 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -12.237 tors. eta vs tors. theta energy: -20.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -266.523013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.523013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.523013 (E_RNA) where: Base-Base interactions energy: -189.490 where: short stacking energy: -77.415 Base-Backbone interact. energy: 0.047 local terms energy: -77.079226 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -17.646 flat angles C4'-P-C4' energy: -18.298 flat angles P-C4'-P energy: -12.404 tors. eta vs tors. theta energy: -16.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -267.792454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.792454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.792454 (E_RNA) where: Base-Base interactions energy: -188.736 where: short stacking energy: -75.772 Base-Backbone interact. energy: -0.256 local terms energy: -78.800349 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -18.182 flat angles C4'-P-C4' energy: -15.986 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -20.227 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: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -230.896713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.896713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.896713 (E_RNA) where: Base-Base interactions energy: -155.292 where: short stacking energy: -81.111 Base-Backbone interact. energy: 0.457 local terms energy: -76.061788 where: bonds (distance) C4'-P energy: -15.840 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -19.713 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -17.560 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: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -268.411466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.411466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.411466 (E_RNA) where: Base-Base interactions energy: -198.041 where: short stacking energy: -74.269 Base-Backbone interact. energy: -0.111 local terms energy: -70.259573 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -16.136 flat angles C4'-P-C4' energy: -14.730 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -14.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -204.303635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.303635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.303635 (E_RNA) where: Base-Base interactions energy: -130.646 where: short stacking energy: -61.118 Base-Backbone interact. energy: -0.137 local terms energy: -73.519930 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -16.087 flat angles C4'-P-C4' energy: -18.989 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -16.689 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: 254 Temperature: 1.300000 Total energy: -115.793718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.793718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.793718 (E_RNA) where: Base-Base interactions energy: -58.536 where: short stacking energy: -49.308 Base-Backbone interact. energy: -0.107 local terms energy: -57.150486 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -17.645 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -8.434 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: 10, replica: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -193.758438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.758438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.758438 (E_RNA) where: Base-Base interactions energy: -135.687 where: short stacking energy: -56.408 Base-Backbone interact. energy: -0.126 local terms energy: -57.945149 where: bonds (distance) C4'-P energy: -15.259 bonds (distance) P-C4' energy: -12.851 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -8.084 tors. eta vs tors. theta energy: -16.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -288.100874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.100874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.100874 (E_RNA) where: Base-Base interactions energy: -206.310 where: short stacking energy: -89.230 Base-Backbone interact. energy: -1.411 local terms energy: -80.380276 where: bonds (distance) C4'-P energy: -17.602 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -18.437 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -20.315 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -284.926392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.926392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.926392 (E_RNA) where: Base-Base interactions energy: -201.264 where: short stacking energy: -83.573 Base-Backbone interact. energy: -0.385 local terms energy: -83.277811 where: bonds (distance) C4'-P energy: -17.074 bonds (distance) P-C4' energy: -18.389 flat angles C4'-P-C4' energy: -19.308 flat angles P-C4'-P energy: -12.015 tors. eta vs tors. theta energy: -16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -272.635688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.635688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.635688 (E_RNA) where: Base-Base interactions energy: -203.109 where: short stacking energy: -78.444 Base-Backbone interact. energy: -0.454 local terms energy: -69.072809 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -14.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -266.643296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.643296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.643296 (E_RNA) where: Base-Base interactions energy: -192.197 where: short stacking energy: -78.533 Base-Backbone interact. energy: -0.102 local terms energy: -74.344703 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -20.074 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: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -266.177856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.177856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.177856 (E_RNA) where: Base-Base interactions energy: -189.754 where: short stacking energy: -81.831 Base-Backbone interact. energy: 0.156 local terms energy: -76.579177 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -20.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -264.465576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.465576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.465576 (E_RNA) where: Base-Base interactions energy: -194.118 where: short stacking energy: -82.422 Base-Backbone interact. energy: -0.065 local terms energy: -70.281861 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -18.484 flat angles P-C4'-P energy: -9.867 tors. eta vs tors. theta energy: -18.191 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: 2 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -222.900796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.900796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.900796 (E_RNA) where: Base-Base interactions energy: -150.976 where: short stacking energy: -71.600 Base-Backbone interact. energy: -0.003 local terms energy: -71.922124 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -19.892 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -15.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -211.242036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.242036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.242036 (E_RNA) where: Base-Base interactions energy: -145.724 where: short stacking energy: -70.368 Base-Backbone interact. energy: 0.651 local terms energy: -66.169697 where: bonds (distance) C4'-P energy: -4.573 bonds (distance) P-C4' energy: -13.947 flat angles C4'-P-C4' energy: -16.948 flat angles P-C4'-P energy: -13.214 tors. eta vs tors. theta energy: -17.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -118.447834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.447834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.447834 (E_RNA) where: Base-Base interactions energy: -65.447 where: short stacking energy: -41.314 Base-Backbone interact. energy: -0.238 local terms energy: -52.763537 where: bonds (distance) C4'-P energy: -16.646 bonds (distance) P-C4' energy: -15.950 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -162.928079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.928079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.928079 (E_RNA) where: Base-Base interactions energy: -108.700 where: short stacking energy: -52.979 Base-Backbone interact. energy: -0.206 local terms energy: -54.022525 where: bonds (distance) C4'-P energy: -10.238 bonds (distance) P-C4' energy: -17.853 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -4.157 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: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -284.402958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.402958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.402958 (E_RNA) where: Base-Base interactions energy: -199.185 where: short stacking energy: -81.551 Base-Backbone interact. energy: -0.181 local terms energy: -85.037064 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -18.529 flat angles C4'-P-C4' energy: -17.572 flat angles P-C4'-P energy: -13.699 tors. eta vs tors. theta energy: -20.452 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: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -282.518620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.518620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.518620 (E_RNA) where: Base-Base interactions energy: -205.752 where: short stacking energy: -86.570 Base-Backbone interact. energy: -0.355 local terms energy: -76.411729 where: bonds (distance) C4'-P energy: -16.621 bonds (distance) P-C4' energy: -14.795 flat angles C4'-P-C4' energy: -17.384 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -15.016 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: 256 Temperature: 1.000000 Total energy: -273.543655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.543655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.543655 (E_RNA) where: Base-Base interactions energy: -199.688 where: short stacking energy: -77.373 Base-Backbone interact. energy: -1.470 local terms energy: -72.385795 where: bonds (distance) C4'-P energy: -17.130 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -275.765175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.765175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.765175 (E_RNA) where: Base-Base interactions energy: -192.555 where: short stacking energy: -83.807 Base-Backbone interact. energy: -0.124 local terms energy: -83.086291 where: bonds (distance) C4'-P energy: -15.697 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -18.343 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -20.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -267.557015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.557015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.557015 (E_RNA) where: Base-Base interactions energy: -185.994 where: short stacking energy: -72.639 Base-Backbone interact. energy: 0.428 local terms energy: -81.990253 where: bonds (distance) C4'-P energy: -17.627 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -18.428 flat angles P-C4'-P energy: -12.111 tors. eta vs tors. theta energy: -16.810 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: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -266.868377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.868377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.868377 (E_RNA) where: Base-Base interactions energy: -194.571 where: short stacking energy: -82.104 Base-Backbone interact. energy: -0.099 local terms energy: -72.198344 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -16.221 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -18.743 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: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -218.857584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.857584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.857584 (E_RNA) where: Base-Base interactions energy: -146.220 where: short stacking energy: -73.076 Base-Backbone interact. energy: -0.672 local terms energy: -71.965896 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -15.636 flat angles C4'-P-C4' energy: -16.422 flat angles P-C4'-P energy: -13.853 tors. eta vs tors. theta energy: -13.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -212.460232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.460232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.460232 (E_RNA) where: Base-Base interactions energy: -144.000 where: short stacking energy: -78.228 Base-Backbone interact. energy: -0.997 local terms energy: -67.463516 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -17.253 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -16.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -164.755673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.755673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.755673 (E_RNA) where: Base-Base interactions energy: -106.306 where: short stacking energy: -70.517 Base-Backbone interact. energy: 1.613 local terms energy: -60.061935 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -17.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -83.657157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.657157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.657157 (E_RNA) where: Base-Base interactions energy: -35.187 where: short stacking energy: -28.191 Base-Backbone interact. energy: -0.135 local terms energy: -48.335596 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: 6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -291.851115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.851115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.851115 (E_RNA) where: Base-Base interactions energy: -202.480 where: short stacking energy: -83.660 Base-Backbone interact. energy: -1.391 local terms energy: -87.980267 where: bonds (distance) C4'-P energy: -17.450 bonds (distance) P-C4' energy: -19.479 flat angles C4'-P-C4' energy: -16.831 flat angles P-C4'-P energy: -13.468 tors. eta vs tors. theta energy: -20.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -286.791992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.791992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.791992 (E_RNA) where: Base-Base interactions energy: -200.519 where: short stacking energy: -87.541 Base-Backbone interact. energy: -2.051 local terms energy: -84.221910 where: bonds (distance) C4'-P energy: -15.139 bonds (distance) P-C4' energy: -17.488 flat angles C4'-P-C4' energy: -17.999 flat angles P-C4'-P energy: -13.633 tors. eta vs tors. theta energy: -19.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -266.110114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.110114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.110114 (E_RNA) where: Base-Base interactions energy: -198.101 where: short stacking energy: -84.758 Base-Backbone interact. energy: -0.127 local terms energy: -67.882574 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -10.524 tors. eta vs tors. theta energy: -13.052 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: 257 Temperature: 1.050000 Total energy: -267.549469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.549469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.549469 (E_RNA) where: Base-Base interactions energy: -194.062 where: short stacking energy: -82.059 Base-Backbone interact. energy: -0.075 local terms energy: -73.413131 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -17.956 flat angles C4'-P-C4' energy: -17.798 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -248.081866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.081866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.081866 (E_RNA) where: Base-Base interactions energy: -180.057 where: short stacking energy: -69.850 Base-Backbone interact. energy: -0.087 local terms energy: -67.938375 where: bonds (distance) C4'-P energy: -10.041 bonds (distance) P-C4' energy: -19.312 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -6.783 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -228.866423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.866423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.866423 (E_RNA) where: Base-Base interactions energy: -154.970 where: short stacking energy: -81.104 Base-Backbone interact. energy: -0.022 local terms energy: -73.874535 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -16.163 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -253.526948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.526948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.526948 (E_RNA) where: Base-Base interactions energy: -185.159 where: short stacking energy: -71.628 Base-Backbone interact. energy: -0.444 local terms energy: -67.923441 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -15.040 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: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -198.376059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.376059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.376059 (E_RNA) where: Base-Base interactions energy: -139.154 where: short stacking energy: -65.420 Base-Backbone interact. energy: -0.594 local terms energy: -58.627317 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -16.409 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -14.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -156.182382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.182382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.182382 (E_RNA) where: Base-Base interactions energy: -97.513 where: short stacking energy: -58.511 Base-Backbone interact. energy: -0.276 local terms energy: -58.393724 where: bonds (distance) C4'-P energy: -18.571 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -10.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -101.525519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.525519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.525519 (E_RNA) where: Base-Base interactions energy: -54.410 where: short stacking energy: -22.079 Base-Backbone interact. energy: -0.180 local terms energy: -46.934793 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -17.346 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -2.069 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -290.008596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.008596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.008596 (E_RNA) where: Base-Base interactions energy: -207.409 where: short stacking energy: -89.106 Base-Backbone interact. energy: -0.114 local terms energy: -82.485738 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -17.690 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -22.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -285.975169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.975169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.975169 (E_RNA) where: Base-Base interactions energy: -204.884 where: short stacking energy: -87.657 Base-Backbone interact. energy: -0.104 local terms energy: -80.987102 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -18.293 flat angles P-C4'-P energy: -12.082 tors. eta vs tors. theta energy: -19.342 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -274.963929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.963929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.963929 (E_RNA) where: Base-Base interactions energy: -199.100 where: short stacking energy: -84.907 Base-Backbone interact. energy: -0.106 local terms energy: -75.757722 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -17.966 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -22.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -264.906743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.906743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.906743 (E_RNA) where: Base-Base interactions energy: -192.429 where: short stacking energy: -76.815 Base-Backbone interact. energy: -0.479 local terms energy: -71.998649 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -17.875 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -15.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -240.944709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.944709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.944709 (E_RNA) where: Base-Base interactions energy: -163.839 where: short stacking energy: -70.172 Base-Backbone interact. energy: 2.062 local terms energy: -79.167469 where: bonds (distance) C4'-P energy: -17.214 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -18.670 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -18.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -244.078975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.078975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.078975 (E_RNA) where: Base-Base interactions energy: -177.660 where: short stacking energy: -73.573 Base-Backbone interact. energy: -0.951 local terms energy: -65.468160 where: bonds (distance) C4'-P energy: -12.709 bonds (distance) P-C4' energy: -17.939 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -11.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -263.246433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.246433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.246433 (E_RNA) where: Base-Base interactions energy: -195.836 where: short stacking energy: -77.900 Base-Backbone interact. energy: -0.055 local terms energy: -67.355520 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -15.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -207.392388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.392388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.392388 (E_RNA) where: Base-Base interactions energy: -145.240 where: short stacking energy: -69.578 Base-Backbone interact. energy: 0.495 local terms energy: -62.646979 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -13.608 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: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -206.473544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.473544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.473544 (E_RNA) where: Base-Base interactions energy: -137.936 where: short stacking energy: -68.297 Base-Backbone interact. energy: -0.015 local terms energy: -68.522459 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -15.219 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -14.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -102.978246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.978246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.978246 (E_RNA) where: Base-Base interactions energy: -42.816 where: short stacking energy: -30.113 Base-Backbone interact. energy: -0.236 local terms energy: -59.925977 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -16.565 flat angles P-C4'-P energy: -14.331 tors. eta vs tors. theta energy: -0.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -287.951584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.951584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.951584 (E_RNA) where: Base-Base interactions energy: -205.579 where: short stacking energy: -90.354 Base-Backbone interact. energy: -1.846 local terms energy: -80.526617 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -17.043 flat angles C4'-P-C4' energy: -16.224 flat angles P-C4'-P energy: -14.088 tors. eta vs tors. theta energy: -19.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -279.657016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.657016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.657016 (E_RNA) where: Base-Base interactions energy: -197.333 where: short stacking energy: -83.924 Base-Backbone interact. energy: -0.454 local terms energy: -81.870575 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -13.726 flat angles C4'-P-C4' energy: -18.251 flat angles P-C4'-P energy: -11.991 tors. eta vs tors. theta energy: -20.035 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: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -278.638118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.638118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.638118 (E_RNA) where: Base-Base interactions energy: -200.297 where: short stacking energy: -81.203 Base-Backbone interact. energy: -0.080 local terms energy: -78.262018 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -15.658 flat angles C4'-P-C4' energy: -20.251 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -20.603 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: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -263.503754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.503754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.503754 (E_RNA) where: Base-Base interactions energy: -196.532 where: short stacking energy: -73.340 Base-Backbone interact. energy: -0.269 local terms energy: -66.702522 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -15.403 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: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -222.235526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.235526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.235526 (E_RNA) where: Base-Base interactions energy: -148.586 where: short stacking energy: -73.401 Base-Backbone interact. energy: 1.210 local terms energy: -74.858806 where: bonds (distance) C4'-P energy: -13.338 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -16.992 flat angles P-C4'-P energy: -11.918 tors. eta vs tors. theta energy: -17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -273.144323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.144323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.144323 (E_RNA) where: Base-Base interactions energy: -189.632 where: short stacking energy: -74.078 Base-Backbone interact. energy: -0.486 local terms energy: -83.026225 where: bonds (distance) C4'-P energy: -16.902 bonds (distance) P-C4' energy: -19.252 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -12.453 tors. eta vs tors. theta energy: -19.398 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: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -213.223026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.223026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.223026 (E_RNA) where: Base-Base interactions energy: -137.081 where: short stacking energy: -72.754 Base-Backbone interact. energy: -0.102 local terms energy: -76.039724 where: bonds (distance) C4'-P energy: -17.759 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -19.233 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -15.581 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: 259 Temperature: 1.250000 Total energy: -211.525443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.525443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.525443 (E_RNA) where: Base-Base interactions energy: -139.969 where: short stacking energy: -77.330 Base-Backbone interact. energy: -0.049 local terms energy: -71.507563 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -13.578 tors. eta vs tors. theta energy: -17.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -195.071322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.071322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.071322 (E_RNA) where: Base-Base interactions energy: -129.430 where: short stacking energy: -61.027 Base-Backbone interact. energy: -0.033 local terms energy: -65.608456 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -16.843 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -10.743 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: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -105.270709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.270709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.270709 (E_RNA) where: Base-Base interactions energy: -44.747 where: short stacking energy: -34.715 Base-Backbone interact. energy: 0.438 local terms energy: -60.960995 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -9.622 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: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -286.282209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.282209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.282209 (E_RNA) where: Base-Base interactions energy: -205.758 where: short stacking energy: -87.663 Base-Backbone interact. energy: -0.543 local terms energy: -79.981149 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -18.188 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -19.926 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: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -292.565812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.565812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.565812 (E_RNA) where: Base-Base interactions energy: -208.338 where: short stacking energy: -88.833 Base-Backbone interact. energy: -0.025 local terms energy: -84.202935 where: bonds (distance) C4'-P energy: -18.678 bonds (distance) P-C4' energy: -18.496 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -12.392 tors. eta vs tors. theta energy: -21.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -269.291434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.291434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.291434 (E_RNA) where: Base-Base interactions energy: -196.858 where: short stacking energy: -78.887 Base-Backbone interact. energy: -0.262 local terms energy: -72.171147 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -15.593 flat angles C4'-P-C4' energy: -17.786 flat angles P-C4'-P energy: -10.206 tors. eta vs tors. theta energy: -16.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -273.918220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.918220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.918220 (E_RNA) where: Base-Base interactions energy: -196.896 where: short stacking energy: -79.444 Base-Backbone interact. energy: -0.894 local terms energy: -76.128153 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -15.542 flat angles C4'-P-C4' energy: -15.858 flat angles P-C4'-P energy: -10.342 tors. eta vs tors. theta energy: -20.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -266.095508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.095508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.095508 (E_RNA) where: Base-Base interactions energy: -189.713 where: short stacking energy: -76.300 Base-Backbone interact. energy: -0.218 local terms energy: -76.164817 where: bonds (distance) C4'-P energy: -17.197 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -15.942 flat angles P-C4'-P energy: -14.182 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -213.406338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.406338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.406338 (E_RNA) where: Base-Base interactions energy: -144.174 where: short stacking energy: -63.145 Base-Backbone interact. energy: -0.047 local terms energy: -69.185248 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -18.066 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -12.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -207.509633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.509633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.509633 (E_RNA) where: Base-Base interactions energy: -152.550 where: short stacking energy: -72.494 Base-Backbone interact. energy: -0.094 local terms energy: -54.865640 where: bonds (distance) C4'-P energy: -7.664 bonds (distance) P-C4' energy: -12.611 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -16.156 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: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -211.087756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.087756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.087756 (E_RNA) where: Base-Base interactions energy: -136.806 where: short stacking energy: -62.218 Base-Backbone interact. energy: -1.251 local terms energy: -73.030866 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -16.118 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -16.783 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: 2 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -190.702769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.702769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.702769 (E_RNA) where: Base-Base interactions energy: -130.364 where: short stacking energy: -57.443 Base-Backbone interact. energy: 2.036 local terms energy: -62.374439 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -10.668 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: 10, replica: 9 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -104.835249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.835249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.835249 (E_RNA) where: Base-Base interactions energy: -54.698 where: short stacking energy: -42.615 Base-Backbone interact. energy: 4.783 local terms energy: -54.920437 where: bonds (distance) C4'-P energy: -14.271 bonds (distance) P-C4' energy: -16.558 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -285.369357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.369357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.369357 (E_RNA) where: Base-Base interactions energy: -202.986 where: short stacking energy: -82.358 Base-Backbone interact. energy: -0.182 local terms energy: -82.201514 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -17.592 flat angles C4'-P-C4' energy: -18.662 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -18.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -286.952775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.952775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.952775 (E_RNA) where: Base-Base interactions energy: -204.801 where: short stacking energy: -86.516 Base-Backbone interact. energy: -0.196 local terms energy: -81.955370 where: bonds (distance) C4'-P energy: -14.778 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -12.479 tors. eta vs tors. theta energy: -22.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -266.839205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.839205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.839205 (E_RNA) where: Base-Base interactions energy: -194.067 where: short stacking energy: -76.595 Base-Backbone interact. energy: -0.256 local terms energy: -72.515349 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -19.502 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -14.198 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: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -274.724175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.724175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.724175 (E_RNA) where: Base-Base interactions energy: -198.199 where: short stacking energy: -79.533 Base-Backbone interact. energy: -0.582 local terms energy: -75.942429 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -19.383 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -14.517 tors. eta vs tors. theta energy: -19.854 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: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -266.012935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.012935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.012935 (E_RNA) where: Base-Base interactions energy: -187.825 where: short stacking energy: -78.665 Base-Backbone interact. energy: -1.484 local terms energy: -76.704354 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -19.297 flat angles P-C4'-P energy: -12.433 tors. eta vs tors. theta energy: -15.817 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: 7 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -206.413019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.413019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.413019 (E_RNA) where: Base-Base interactions energy: -134.567 where: short stacking energy: -64.018 Base-Backbone interact. energy: -0.095 local terms energy: -71.750587 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -15.262 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: 8 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -224.199739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.199739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.199739 (E_RNA) where: Base-Base interactions energy: -152.613 where: short stacking energy: -64.129 Base-Backbone interact. energy: -0.019 local terms energy: -71.568549 where: bonds (distance) C4'-P energy: -16.524 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -18.218 flat angles P-C4'-P energy: -11.365 tors. eta vs tors. theta energy: -10.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -213.899191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.899191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.899191 (E_RNA) where: Base-Base interactions energy: -146.673 where: short stacking energy: -69.721 Base-Backbone interact. energy: -0.204 local terms energy: -67.021602 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -16.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -191.423046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.423046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.423046 (E_RNA) where: Base-Base interactions energy: -131.986 where: short stacking energy: -56.807 Base-Backbone interact. energy: 0.310 local terms energy: -59.746874 where: bonds (distance) C4'-P energy: -11.249 bonds (distance) P-C4' energy: -11.794 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -15.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -102.531936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.531936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.531936 (E_RNA) where: Base-Base interactions energy: -54.174 where: short stacking energy: -54.174 Base-Backbone interact. energy: -0.169 local terms energy: -48.188451 where: bonds (distance) C4'-P energy: -1.093 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -12.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -288.069531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.069531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.069531 (E_RNA) where: Base-Base interactions energy: -201.800 where: short stacking energy: -81.247 Base-Backbone interact. energy: -0.101 local terms energy: -86.168470 where: bonds (distance) C4'-P energy: -18.737 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -16.510 flat angles P-C4'-P energy: -14.473 tors. eta vs tors. theta energy: -23.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -283.341281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.341281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.341281 (E_RNA) where: Base-Base interactions energy: -201.734 where: short stacking energy: -82.176 Base-Backbone interact. energy: -0.331 local terms energy: -81.276429 where: bonds (distance) C4'-P energy: -17.140 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -23.000 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: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -277.602534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.602534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.602534 (E_RNA) where: Base-Base interactions energy: -199.950 where: short stacking energy: -84.423 Base-Backbone interact. energy: -0.084 local terms energy: -77.568600 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -17.931 flat angles P-C4'-P energy: -13.167 tors. eta vs tors. theta energy: -20.720 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: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -265.615032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.615032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.615032 (E_RNA) where: Base-Base interactions energy: -196.076 where: short stacking energy: -70.618 Base-Backbone interact. energy: 1.226 local terms energy: -70.765611 where: bonds (distance) C4'-P energy: -14.477 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -12.367 tors. eta vs tors. theta energy: -12.951 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: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -269.002086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.002086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.002086 (E_RNA) where: Base-Base interactions energy: -190.748 where: short stacking energy: -78.273 Base-Backbone interact. energy: -0.078 local terms energy: -78.175706 where: bonds (distance) C4'-P energy: -17.346 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -17.407 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -17.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -217.493264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.493264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.493264 (E_RNA) where: Base-Base interactions energy: -147.207 where: short stacking energy: -72.272 Base-Backbone interact. energy: -0.134 local terms energy: -70.151603 where: bonds (distance) C4'-P energy: -15.824 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -14.576 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: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -212.701190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.701190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.701190 (E_RNA) where: Base-Base interactions energy: -141.257 where: short stacking energy: -74.218 Base-Backbone interact. energy: -0.296 local terms energy: -71.148188 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -12.791 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -11.914 tors. eta vs tors. theta energy: -16.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -245.830151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.830151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.830151 (E_RNA) where: Base-Base interactions energy: -169.062 where: short stacking energy: -78.390 Base-Backbone interact. energy: -1.210 local terms energy: -75.557540 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -18.244 flat angles P-C4'-P energy: -11.134 tors. eta vs tors. theta energy: -14.841 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: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -200.392343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.392343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.392343 (E_RNA) where: Base-Base interactions energy: -134.716 where: short stacking energy: -48.879 Base-Backbone interact. energy: -0.186 local terms energy: -65.490685 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -13.454 tors. eta vs tors. theta energy: -14.173 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: 262 Temperature: 1.350000 Total energy: -97.117432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.117432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.117432 (E_RNA) where: Base-Base interactions energy: -51.585 where: short stacking energy: -31.639 Base-Backbone interact. energy: -0.112 local terms energy: -45.420147 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -2.847 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: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -287.193678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.193678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.193678 (E_RNA) where: Base-Base interactions energy: -208.031 where: short stacking energy: -89.278 Base-Backbone interact. energy: -0.154 local terms energy: -79.008594 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -16.578 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -281.708010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.708010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.708010 (E_RNA) where: Base-Base interactions energy: -196.777 where: short stacking energy: -85.055 Base-Backbone interact. energy: 0.308 local terms energy: -85.238456 where: bonds (distance) C4'-P energy: -17.859 bonds (distance) P-C4' energy: -18.284 flat angles C4'-P-C4' energy: -16.446 flat angles P-C4'-P energy: -12.212 tors. eta vs tors. theta energy: -20.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -275.343288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.343288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.343288 (E_RNA) where: Base-Base interactions energy: -199.475 where: short stacking energy: -84.227 Base-Backbone interact. energy: 0.672 local terms energy: -76.540535 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -17.723 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -19.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -264.338158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.338158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.338158 (E_RNA) where: Base-Base interactions energy: -195.126 where: short stacking energy: -73.464 Base-Backbone interact. energy: -0.269 local terms energy: -68.943096 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -13.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -272.145040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.145040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.145040 (E_RNA) where: Base-Base interactions energy: -194.532 where: short stacking energy: -84.068 Base-Backbone interact. energy: 0.436 local terms energy: -78.049083 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -22.612 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: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -221.725760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.725760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.725760 (E_RNA) where: Base-Base interactions energy: -145.078 where: short stacking energy: -74.628 Base-Backbone interact. energy: 2.983 local terms energy: -79.630935 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -16.369 flat angles P-C4'-P energy: -14.271 tors. eta vs tors. theta energy: -20.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -219.387013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.387013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.387013 (E_RNA) where: Base-Base interactions energy: -154.589 where: short stacking energy: -81.667 Base-Backbone interact. energy: 0.152 local terms energy: -64.950298 where: bonds (distance) C4'-P energy: -15.045 bonds (distance) P-C4' energy: -5.854 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -19.445 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: 263 Temperature: 1.250000 Total energy: -206.679593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.679593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.679593 (E_RNA) where: Base-Base interactions energy: -137.713 where: short stacking energy: -72.139 Base-Backbone interact. energy: -0.000 local terms energy: -68.966194 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -15.885 flat angles C4'-P-C4' energy: -16.423 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -18.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -216.103973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.103973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.103973 (E_RNA) where: Base-Base interactions energy: -151.573 where: short stacking energy: -69.933 Base-Backbone interact. energy: -0.172 local terms energy: -64.358862 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -13.398 flat angles C4'-P-C4' energy: -17.769 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -10.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -91.101460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.101460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.101460 (E_RNA) where: Base-Base interactions energy: -42.232 where: short stacking energy: -37.916 Base-Backbone interact. energy: -0.254 local terms energy: -48.615729 where: bonds (distance) C4'-P energy: -15.542 bonds (distance) P-C4' energy: -11.511 flat angles C4'-P-C4' energy: -11.254 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -289.057540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.057540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.057540 (E_RNA) where: Base-Base interactions energy: -200.580 where: short stacking energy: -82.774 Base-Backbone interact. energy: -0.599 local terms energy: -87.878823 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -16.934 flat angles C4'-P-C4' energy: -19.990 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -22.069 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: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -287.152998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.152998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.152998 (E_RNA) where: Base-Base interactions energy: -205.667 where: short stacking energy: -89.450 Base-Backbone interact. energy: -0.112 local terms energy: -81.374315 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -17.913 flat angles C4'-P-C4' energy: -17.134 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -21.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -268.670871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.670871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.670871 (E_RNA) where: Base-Base interactions energy: -188.349 where: short stacking energy: -78.498 Base-Backbone interact. energy: -0.138 local terms energy: -80.184023 where: bonds (distance) C4'-P energy: -19.412 bonds (distance) P-C4' energy: -16.484 flat angles C4'-P-C4' energy: -17.190 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -14.725 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: 4, replica: 10 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -276.098528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.098528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.098528 (E_RNA) where: Base-Base interactions energy: -195.114 where: short stacking energy: -77.757 Base-Backbone interact. energy: -0.413 local terms energy: -80.571290 where: bonds (distance) C4'-P energy: -15.885 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -17.007 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -20.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -264.913529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.913529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.913529 (E_RNA) where: Base-Base interactions energy: -190.611 where: short stacking energy: -75.641 Base-Backbone interact. energy: -0.110 local terms energy: -74.193422 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -13.153 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -18.131 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: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -229.355374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.355374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.355374 (E_RNA) where: Base-Base interactions energy: -148.408 where: short stacking energy: -79.274 Base-Backbone interact. energy: -0.177 local terms energy: -80.770646 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -18.675 flat angles C4'-P-C4' energy: -17.720 flat angles P-C4'-P energy: -12.499 tors. eta vs tors. theta energy: -19.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -214.964434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.964434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.964434 (E_RNA) where: Base-Base interactions energy: -139.644 where: short stacking energy: -68.439 Base-Backbone interact. energy: -0.033 local terms energy: -75.286987 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -15.826 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -199.657531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.657531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.657531 (E_RNA) where: Base-Base interactions energy: -132.804 where: short stacking energy: -63.021 Base-Backbone interact. energy: -0.104 local terms energy: -66.749242 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -17.311 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -16.983 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: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -225.445198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.445198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.445198 (E_RNA) where: Base-Base interactions energy: -155.189 where: short stacking energy: -60.481 Base-Backbone interact. energy: -1.591 local terms energy: -68.664900 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -17.149 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -13.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -108.438499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.438499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.438499 (E_RNA) where: Base-Base interactions energy: -48.948 where: short stacking energy: -45.769 Base-Backbone interact. energy: -0.390 local terms energy: -59.101305 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -15.789 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -9.867 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: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -281.494677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.494677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.494677 (E_RNA) where: Base-Base interactions energy: -195.213 where: short stacking energy: -80.736 Base-Backbone interact. energy: -1.456 local terms energy: -84.826176 where: bonds (distance) C4'-P energy: -18.373 bonds (distance) P-C4' energy: -18.039 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -22.067 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: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -285.861118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.861118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.861118 (E_RNA) where: Base-Base interactions energy: -203.928 where: short stacking energy: -87.058 Base-Backbone interact. energy: -0.809 local terms energy: -81.124645 where: bonds (distance) C4'-P energy: -18.836 bonds (distance) P-C4' energy: -14.931 flat angles C4'-P-C4' energy: -17.255 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -20.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -264.629549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.629549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.629549 (E_RNA) where: Base-Base interactions energy: -190.682 where: short stacking energy: -76.268 Base-Backbone interact. energy: -0.303 local terms energy: -73.644298 where: bonds (distance) C4'-P energy: -17.333 bonds (distance) P-C4' energy: -16.412 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -18.633 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: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -274.469120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.469120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.469120 (E_RNA) where: Base-Base interactions energy: -199.448 where: short stacking energy: -81.564 Base-Backbone interact. energy: -0.129 local terms energy: -74.892948 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -22.234 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: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -273.055727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.055727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.055727 (E_RNA) where: Base-Base interactions energy: -198.818 where: short stacking energy: -82.170 Base-Backbone interact. energy: -1.422 local terms energy: -72.815648 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -15.972 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -19.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -223.466974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.466974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.466974 (E_RNA) where: Base-Base interactions energy: -154.393 where: short stacking energy: -79.049 Base-Backbone interact. energy: -0.036 local terms energy: -69.038505 where: bonds (distance) C4'-P energy: -16.497 bonds (distance) P-C4' energy: -13.291 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -15.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -213.925545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.925545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.925545 (E_RNA) where: Base-Base interactions energy: -146.076 where: short stacking energy: -74.142 Base-Backbone interact. energy: -0.013 local terms energy: -67.836395 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -10.267 tors. eta vs tors. theta energy: -18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -209.167706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.167706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.167706 (E_RNA) where: Base-Base interactions energy: -143.061 where: short stacking energy: -71.786 Base-Backbone interact. energy: 0.429 local terms energy: -66.535249 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -18.029 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -14.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -171.292370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.292370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.292370 (E_RNA) where: Base-Base interactions energy: -110.460 where: short stacking energy: -42.470 Base-Backbone interact. energy: 2.202 local terms energy: -63.034345 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -121.813026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.813026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.813026 (E_RNA) where: Base-Base interactions energy: -66.103 where: short stacking energy: -50.137 Base-Backbone interact. energy: -0.045 local terms energy: -55.664937 where: bonds (distance) C4'-P energy: -16.593 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -6.465 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -287.882786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.882786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.882786 (E_RNA) where: Base-Base interactions energy: -199.914 where: short stacking energy: -80.053 Base-Backbone interact. energy: -0.019 local terms energy: -87.950032 where: bonds (distance) C4'-P energy: -18.232 bonds (distance) P-C4' energy: -17.509 flat angles C4'-P-C4' energy: -18.551 flat angles P-C4'-P energy: -13.459 tors. eta vs tors. theta energy: -20.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -283.596275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.596275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.596275 (E_RNA) where: Base-Base interactions energy: -200.948 where: short stacking energy: -88.527 Base-Backbone interact. energy: -2.286 local terms energy: -80.361984 where: bonds (distance) C4'-P energy: -16.997 bonds (distance) P-C4' energy: -17.986 flat angles C4'-P-C4' energy: -15.884 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -21.452 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: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -275.694596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.694596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.694596 (E_RNA) where: Base-Base interactions energy: -197.687 where: short stacking energy: -78.316 Base-Backbone interact. energy: -0.152 local terms energy: -77.856160 where: bonds (distance) C4'-P energy: -13.639 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -17.369 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -19.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -260.387281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.387281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.387281 (E_RNA) where: Base-Base interactions energy: -191.281 where: short stacking energy: -69.182 Base-Backbone interact. energy: -0.438 local terms energy: -68.668034 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -16.811 flat angles P-C4'-P energy: -11.002 tors. eta vs tors. theta energy: -12.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -271.527588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.527588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.527588 (E_RNA) where: Base-Base interactions energy: -198.363 where: short stacking energy: -82.332 Base-Backbone interact. energy: -0.146 local terms energy: -73.018414 where: bonds (distance) C4'-P energy: -14.327 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -20.375 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: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -223.701405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.701405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.701405 (E_RNA) where: Base-Base interactions energy: -160.773 where: short stacking energy: -75.861 Base-Backbone interact. energy: -0.154 local terms energy: -62.774067 where: bonds (distance) C4'-P energy: -10.704 bonds (distance) P-C4' energy: -12.999 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -14.930 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: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -217.589308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.589308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.589308 (E_RNA) where: Base-Base interactions energy: -154.200 where: short stacking energy: -67.230 Base-Backbone interact. energy: -0.035 local terms energy: -63.354705 where: bonds (distance) C4'-P energy: -19.457 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -12.769 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: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -190.747656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.747656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.747656 (E_RNA) where: Base-Base interactions energy: -129.100 where: short stacking energy: -57.821 Base-Backbone interact. energy: 0.209 local terms energy: -61.856240 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -13.682 flat angles C4'-P-C4' energy: -9.553 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -12.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -182.800094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.800094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.800094 (E_RNA) where: Base-Base interactions energy: -121.767 where: short stacking energy: -56.640 Base-Backbone interact. energy: -0.051 local terms energy: -60.982872 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -18.144 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -10.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -94.348135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.348135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.348135 (E_RNA) where: Base-Base interactions energy: -35.464 where: short stacking energy: -35.464 Base-Backbone interact. energy: -0.008 local terms energy: -58.876412 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -15.915 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -11.443 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: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -288.191781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.191781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.191781 (E_RNA) where: Base-Base interactions energy: -208.539 where: short stacking energy: -87.658 Base-Backbone interact. energy: -0.139 local terms energy: -79.514508 where: bonds (distance) C4'-P energy: -16.987 bonds (distance) P-C4' energy: -15.348 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -20.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -286.852557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.852557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.852557 (E_RNA) where: Base-Base interactions energy: -206.216 where: short stacking energy: -86.900 Base-Backbone interact. energy: -0.564 local terms energy: -80.072134 where: bonds (distance) C4'-P energy: -15.541 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -16.878 flat angles P-C4'-P energy: -13.555 tors. eta vs tors. theta energy: -20.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -278.477245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.477245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.477245 (E_RNA) where: Base-Base interactions energy: -205.283 where: short stacking energy: -80.781 Base-Backbone interact. energy: 0.014 local terms energy: -73.208314 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -15.126 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -20.075 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: 10 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -271.942376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.942376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.942376 (E_RNA) where: Base-Base interactions energy: -191.701 where: short stacking energy: -84.581 Base-Backbone interact. energy: -1.599 local terms energy: -78.642100 where: bonds (distance) C4'-P energy: -16.788 bonds (distance) P-C4' energy: -14.677 flat angles C4'-P-C4' energy: -19.515 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -18.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -258.897012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.897012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.897012 (E_RNA) where: Base-Base interactions energy: -190.401 where: short stacking energy: -73.970 Base-Backbone interact. energy: -0.099 local terms energy: -68.396590 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -18.873 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -11.477 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -217.028881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.028881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.028881 (E_RNA) where: Base-Base interactions energy: -149.671 where: short stacking energy: -74.281 Base-Backbone interact. energy: -0.227 local terms energy: -67.130379 where: bonds (distance) C4'-P energy: -15.199 bonds (distance) P-C4' energy: -18.186 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -1.155 tors. eta vs tors. theta energy: -19.386 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: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -225.757506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.757506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.757506 (E_RNA) where: Base-Base interactions energy: -167.247 where: short stacking energy: -64.257 Base-Backbone interact. energy: -0.142 local terms energy: -58.368290 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -17.146 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: 267 Temperature: 1.250000 Total energy: -203.974482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.974482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.974482 (E_RNA) where: Base-Base interactions energy: -125.056 where: short stacking energy: -59.240 Base-Backbone interact. energy: -0.102 local terms energy: -78.816688 where: bonds (distance) C4'-P energy: -18.024 bonds (distance) P-C4' energy: -17.685 flat angles C4'-P-C4' energy: -16.820 flat angles P-C4'-P energy: -13.207 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -192.996136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.996136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.996136 (E_RNA) where: Base-Base interactions energy: -128.414 where: short stacking energy: -66.658 Base-Backbone interact. energy: -0.106 local terms energy: -64.476804 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -16.237 flat angles P-C4'-P energy: -6.134 tors. eta vs tors. theta energy: -15.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -91.491915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.491915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.491915 (E_RNA) where: Base-Base interactions energy: -37.685 where: short stacking energy: -35.506 Base-Backbone interact. energy: -0.039 local terms energy: -53.768082 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -15.558 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -288.133750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.133750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.133750 (E_RNA) where: Base-Base interactions energy: -202.963 where: short stacking energy: -85.884 Base-Backbone interact. energy: -0.324 local terms energy: -84.846096 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -18.213 flat angles P-C4'-P energy: -13.751 tors. eta vs tors. theta energy: -20.505 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: 268 Temperature: 0.950000 Total energy: -281.207268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.207268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.207268 (E_RNA) where: Base-Base interactions energy: -204.671 where: short stacking energy: -85.613 Base-Backbone interact. energy: -0.285 local terms energy: -76.251114 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -17.016 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -20.953 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: 268 Temperature: 1.000000 Total energy: -281.406452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.406452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.406452 (E_RNA) where: Base-Base interactions energy: -204.171 where: short stacking energy: -86.443 Base-Backbone interact. energy: -0.320 local terms energy: -76.915769 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -15.354 flat angles C4'-P-C4' energy: -19.220 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -18.700 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: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -267.779472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.779472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.779472 (E_RNA) where: Base-Base interactions energy: -191.150 where: short stacking energy: -78.637 Base-Backbone interact. energy: -1.312 local terms energy: -75.317903 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -16.315 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -264.885935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.885935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.885935 (E_RNA) where: Base-Base interactions energy: -190.449 where: short stacking energy: -74.734 Base-Backbone interact. energy: 0.280 local terms energy: -74.715982 where: bonds (distance) C4'-P energy: -10.702 bonds (distance) P-C4' energy: -19.436 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -10.955 tors. eta vs tors. theta energy: -17.144 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: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -228.238474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.238474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.238474 (E_RNA) where: Base-Base interactions energy: -157.826 where: short stacking energy: -69.290 Base-Backbone interact. energy: -0.502 local terms energy: -69.910443 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -12.234 tors. eta vs tors. theta energy: -17.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -220.615267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.615267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.615267 (E_RNA) where: Base-Base interactions energy: -142.089 where: short stacking energy: -69.381 Base-Backbone interact. energy: -0.400 local terms energy: -78.126342 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -15.197 tors. eta vs tors. theta energy: -17.532 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -192.033458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.033458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.033458 (E_RNA) where: Base-Base interactions energy: -138.534 where: short stacking energy: -66.919 Base-Backbone interact. energy: -0.644 local terms energy: -52.856179 where: bonds (distance) C4'-P energy: -10.555 bonds (distance) P-C4' energy: -7.959 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -12.303 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: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -184.267467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.267467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.267467 (E_RNA) where: Base-Base interactions energy: -118.352 where: short stacking energy: -71.828 Base-Backbone interact. energy: -0.002 local terms energy: -65.913409 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -15.613 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -18.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -100.081645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.081645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.081645 (E_RNA) where: Base-Base interactions energy: -43.721 where: short stacking energy: -43.545 Base-Backbone interact. energy: 0.586 local terms energy: -56.946502 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -15.182 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -7.951 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: 269 Temperature: 0.900000 Total energy: -283.112032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.112032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.112032 (E_RNA) where: Base-Base interactions energy: -200.837 where: short stacking energy: -83.254 Base-Backbone interact. energy: 0.020 local terms energy: -82.295098 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -19.267 flat angles C4'-P-C4' energy: -16.754 flat angles P-C4'-P energy: -13.952 tors. eta vs tors. theta energy: -17.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -275.292290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.292290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.292290 (E_RNA) where: Base-Base interactions energy: -194.576 where: short stacking energy: -81.890 Base-Backbone interact. energy: -0.232 local terms energy: -80.484684 where: bonds (distance) C4'-P energy: -16.473 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -19.979 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -19.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -272.506732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.506732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.506732 (E_RNA) where: Base-Base interactions energy: -198.766 where: short stacking energy: -84.605 Base-Backbone interact. energy: 0.599 local terms energy: -74.340446 where: bonds (distance) C4'-P energy: -16.882 bonds (distance) P-C4' energy: -12.227 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -10.895 tors. eta vs tors. theta energy: -19.333 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: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -260.716892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.716892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.716892 (E_RNA) where: Base-Base interactions energy: -192.621 where: short stacking energy: -70.666 Base-Backbone interact. energy: 0.666 local terms energy: -68.761717 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -19.242 flat angles C4'-P-C4' energy: -9.835 flat angles P-C4'-P energy: -14.864 tors. eta vs tors. theta energy: -10.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -260.957110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.957110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.957110 (E_RNA) where: Base-Base interactions energy: -184.780 where: short stacking energy: -73.900 Base-Backbone interact. energy: -0.956 local terms energy: -75.221221 where: bonds (distance) C4'-P energy: -12.915 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -17.663 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -16.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -226.584242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.584242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.584242 (E_RNA) where: Base-Base interactions energy: -160.562 where: short stacking energy: -72.869 Base-Backbone interact. energy: -0.101 local terms energy: -65.921125 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -16.785 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -211.641840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.641840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.641840 (E_RNA) where: Base-Base interactions energy: -143.057 where: short stacking energy: -71.611 Base-Backbone interact. energy: 0.485 local terms energy: -69.069812 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -17.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -199.983184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.983184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.983184 (E_RNA) where: Base-Base interactions energy: -133.159 where: short stacking energy: -70.643 Base-Backbone interact. energy: 0.164 local terms energy: -66.987722 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -12.782 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: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -191.548443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.548443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.548443 (E_RNA) where: Base-Base interactions energy: -131.858 where: short stacking energy: -60.845 Base-Backbone interact. energy: -0.119 local terms energy: -59.571612 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -14.835 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -11.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -87.758498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.758498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.758498 (E_RNA) where: Base-Base interactions energy: -31.323 where: short stacking energy: -31.323 Base-Backbone interact. energy: -0.074 local terms energy: -56.361128 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -17.845 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -14.002 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: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -284.505496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.505496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.505496 (E_RNA) where: Base-Base interactions energy: -204.622 where: short stacking energy: -86.168 Base-Backbone interact. energy: -0.071 local terms energy: -79.812469 where: bonds (distance) C4'-P energy: -18.488 bonds (distance) P-C4' energy: -15.148 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -21.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -284.457559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.457559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.457559 (E_RNA) where: Base-Base interactions energy: -197.408 where: short stacking energy: -84.336 Base-Backbone interact. energy: -0.880 local terms energy: -86.168963 where: bonds (distance) C4'-P energy: -17.238 bonds (distance) P-C4' energy: -17.346 flat angles C4'-P-C4' energy: -18.197 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -23.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -270.964350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.964350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.964350 (E_RNA) where: Base-Base interactions energy: -196.633 where: short stacking energy: -80.186 Base-Backbone interact. energy: -1.639 local terms energy: -72.692077 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -17.229 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -11.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -274.907317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.907317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.907317 (E_RNA) where: Base-Base interactions energy: -196.771 where: short stacking energy: -82.082 Base-Backbone interact. energy: -0.196 local terms energy: -77.940715 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -18.763 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -20.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -280.726004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.726004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.726004 (E_RNA) where: Base-Base interactions energy: -202.328 where: short stacking energy: -89.682 Base-Backbone interact. energy: -0.115 local terms energy: -78.282806 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -16.518 flat angles C4'-P-C4' energy: -19.261 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -21.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -225.121051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.121051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.121051 (E_RNA) where: Base-Base interactions energy: -153.801 where: short stacking energy: -75.236 Base-Backbone interact. energy: 0.067 local terms energy: -71.386389 where: bonds (distance) C4'-P energy: -10.760 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -18.547 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -14.998 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: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -215.352370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.352370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.352370 (E_RNA) where: Base-Base interactions energy: -146.829 where: short stacking energy: -69.811 Base-Backbone interact. energy: -0.379 local terms energy: -68.144512 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -17.813 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -204.728208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.728208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.728208 (E_RNA) where: Base-Base interactions energy: -140.544 where: short stacking energy: -61.159 Base-Backbone interact. energy: 1.145 local terms energy: -65.328998 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -19.578 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -12.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -185.968977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.968977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.968977 (E_RNA) where: Base-Base interactions energy: -140.666 where: short stacking energy: -63.846 Base-Backbone interact. energy: -0.040 local terms energy: -45.263316 where: bonds (distance) C4'-P energy: -4.948 bonds (distance) P-C4' energy: -14.376 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -8.844 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: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -96.036788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.036788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.036788 (E_RNA) where: Base-Base interactions energy: -49.216 where: short stacking energy: -29.185 Base-Backbone interact. energy: -0.308 local terms energy: -46.512355 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -0.030 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: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -289.446596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.446596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.446596 (E_RNA) where: Base-Base interactions energy: -205.246 where: short stacking energy: -86.169 Base-Backbone interact. energy: -0.362 local terms energy: -83.837911 where: bonds (distance) C4'-P energy: -15.471 bonds (distance) P-C4' energy: -18.498 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -12.570 tors. eta vs tors. theta energy: -23.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -287.072394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.072394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.072394 (E_RNA) where: Base-Base interactions energy: -201.614 where: short stacking energy: -82.083 Base-Backbone interact. energy: -1.328 local terms energy: -84.130383 where: bonds (distance) C4'-P energy: -17.652 bonds (distance) P-C4' energy: -18.428 flat angles C4'-P-C4' energy: -16.488 flat angles P-C4'-P energy: -8.866 tors. eta vs tors. theta energy: -22.697 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: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -262.433142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.433142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.433142 (E_RNA) where: Base-Base interactions energy: -189.901 where: short stacking energy: -76.195 Base-Backbone interact. energy: 0.083 local terms energy: -72.615316 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -19.005 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -10.670 tors. eta vs tors. theta energy: -14.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -275.519168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.519168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.519168 (E_RNA) where: Base-Base interactions energy: -193.603 where: short stacking energy: -88.716 Base-Backbone interact. energy: 0.860 local terms energy: -82.776290 where: bonds (distance) C4'-P energy: -17.204 bonds (distance) P-C4' energy: -17.784 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -13.418 tors. eta vs tors. theta energy: -18.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -263.345765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.345765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.345765 (E_RNA) where: Base-Base interactions energy: -184.325 where: short stacking energy: -78.643 Base-Backbone interact. energy: -0.942 local terms energy: -78.078579 where: bonds (distance) C4'-P energy: -17.226 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -16.631 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -21.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -217.495512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.495512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.495512 (E_RNA) where: Base-Base interactions energy: -142.659 where: short stacking energy: -71.610 Base-Backbone interact. energy: -0.053 local terms energy: -74.783765 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -16.754 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -12.273 tors. eta vs tors. theta energy: -17.300 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: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -220.647911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.647911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.647911 (E_RNA) where: Base-Base interactions energy: -152.993 where: short stacking energy: -77.098 Base-Backbone interact. energy: -0.062 local terms energy: -67.592455 where: bonds (distance) C4'-P energy: -15.517 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -19.237 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -14.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -215.782959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.782959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.782959 (E_RNA) where: Base-Base interactions energy: -141.504 where: short stacking energy: -65.566 Base-Backbone interact. energy: 0.362 local terms energy: -74.641221 where: bonds (distance) C4'-P energy: -15.126 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -12.118 tors. eta vs tors. theta energy: -18.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -198.277281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.277281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.277281 (E_RNA) where: Base-Base interactions energy: -134.198 where: short stacking energy: -62.535 Base-Backbone interact. energy: -0.047 local terms energy: -64.031527 where: bonds (distance) C4'-P energy: -10.038 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -15.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -96.221281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.221281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.221281 (E_RNA) where: Base-Base interactions energy: -50.416 where: short stacking energy: -34.309 Base-Backbone interact. energy: -0.462 local terms energy: -45.343777 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -7.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -285.529283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.529283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.529283 (E_RNA) where: Base-Base interactions energy: -207.113 where: short stacking energy: -87.083 Base-Backbone interact. energy: -0.182 local terms energy: -78.233862 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -17.711 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -21.497 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: 1 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -286.283068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.283068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.283068 (E_RNA) where: Base-Base interactions energy: -202.883 where: short stacking energy: -90.776 Base-Backbone interact. energy: -0.212 local terms energy: -83.187489 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -18.831 flat angles C4'-P-C4' energy: -18.751 flat angles P-C4'-P energy: -12.513 tors. eta vs tors. theta energy: -18.861 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: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -276.899267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.899267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.899267 (E_RNA) where: Base-Base interactions energy: -195.235 where: short stacking energy: -85.888 Base-Backbone interact. energy: -0.135 local terms energy: -81.529676 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -18.851 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -18.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -259.526891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.526891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.526891 (E_RNA) where: Base-Base interactions energy: -194.342 where: short stacking energy: -78.961 Base-Backbone interact. energy: -0.276 local terms energy: -64.909099 where: bonds (distance) C4'-P energy: -16.994 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -12.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -226.243113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.243113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.243113 (E_RNA) where: Base-Base interactions energy: -149.893 where: short stacking energy: -76.598 Base-Backbone interact. energy: -0.017 local terms energy: -76.333913 where: bonds (distance) C4'-P energy: -15.541 bonds (distance) P-C4' energy: -16.444 flat angles C4'-P-C4' energy: -19.699 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -260.787806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.787806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.787806 (E_RNA) where: Base-Base interactions energy: -181.350 where: short stacking energy: -74.610 Base-Backbone interact. energy: -0.100 local terms energy: -79.337701 where: bonds (distance) C4'-P energy: -17.583 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -20.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -217.856345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.856345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.856345 (E_RNA) where: Base-Base interactions energy: -144.809 where: short stacking energy: -76.856 Base-Backbone interact. energy: -0.100 local terms energy: -72.947515 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -18.152 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -210.614821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.614821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.614821 (E_RNA) where: Base-Base interactions energy: -140.265 where: short stacking energy: -76.304 Base-Backbone interact. energy: -0.092 local terms energy: -70.257661 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -14.324 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -18.996 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: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -202.107105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.107105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.107105 (E_RNA) where: Base-Base interactions energy: -146.609 where: short stacking energy: -70.657 Base-Backbone interact. energy: -0.042 local terms energy: -55.455794 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -12.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -106.422524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.422524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.422524 (E_RNA) where: Base-Base interactions energy: -47.272 where: short stacking energy: -45.763 Base-Backbone interact. energy: 1.318 local terms energy: -60.468783 where: bonds (distance) C4'-P energy: -14.859 bonds (distance) P-C4' energy: -17.492 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -11.709 tors. eta vs tors. theta energy: -7.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -289.732350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.732350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.732350 (E_RNA) where: Base-Base interactions energy: -206.707 where: short stacking energy: -88.702 Base-Backbone interact. energy: -0.112 local terms energy: -82.913422 where: bonds (distance) C4'-P energy: -14.246 bonds (distance) P-C4' energy: -17.980 flat angles C4'-P-C4' energy: -16.861 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -21.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -287.280456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.280456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.280456 (E_RNA) where: Base-Base interactions energy: -209.092 where: short stacking energy: -90.049 Base-Backbone interact. energy: 0.498 local terms energy: -78.687211 where: bonds (distance) C4'-P energy: -16.377 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -18.679 flat angles P-C4'-P energy: -11.780 tors. eta vs tors. theta energy: -17.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -279.912870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.912870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.912870 (E_RNA) where: Base-Base interactions energy: -201.302 where: short stacking energy: -83.632 Base-Backbone interact. energy: -1.475 local terms energy: -77.135742 where: bonds (distance) C4'-P energy: -16.046 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -20.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -228.364067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.364067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.364067 (E_RNA) where: Base-Base interactions energy: -154.292 where: short stacking energy: -74.291 Base-Backbone interact. energy: -0.066 local terms energy: -74.005700 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -15.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -265.292588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.292588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.292588 (E_RNA) where: Base-Base interactions energy: -193.725 where: short stacking energy: -76.774 Base-Backbone interact. energy: -1.553 local terms energy: -70.014337 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -16.503 flat angles P-C4'-P energy: -8.497 tors. eta vs tors. theta energy: -12.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -259.330567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.330567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.330567 (E_RNA) where: Base-Base interactions energy: -180.720 where: short stacking energy: -84.365 Base-Backbone interact. energy: 0.384 local terms energy: -78.994170 where: bonds (distance) C4'-P energy: -17.578 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -13.938 tors. eta vs tors. theta energy: -16.508 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: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -216.588542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.588542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.588542 (E_RNA) where: Base-Base interactions energy: -144.254 where: short stacking energy: -57.779 Base-Backbone interact. energy: -0.169 local terms energy: -72.165329 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -18.426 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -14.077 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -214.472203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.472203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.472203 (E_RNA) where: Base-Base interactions energy: -140.144 where: short stacking energy: -67.817 Base-Backbone interact. energy: -0.070 local terms energy: -74.259053 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -16.326 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -195.902737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.902737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.902737 (E_RNA) where: Base-Base interactions energy: -131.520 where: short stacking energy: -61.501 Base-Backbone interact. energy: -0.383 local terms energy: -63.999846 where: bonds (distance) C4'-P energy: -16.860 bonds (distance) P-C4' energy: -13.125 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -10.360 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: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -109.437961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.437961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.437961 (E_RNA) where: Base-Base interactions energy: -50.671 where: short stacking energy: -42.453 Base-Backbone interact. energy: -0.021 local terms energy: -58.746475 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -18.366 flat angles C4'-P-C4' energy: -11.588 flat angles P-C4'-P energy: -10.237 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: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -279.805278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.805278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.805278 (E_RNA) where: Base-Base interactions energy: -198.508 where: short stacking energy: -81.363 Base-Backbone interact. energy: -0.613 local terms energy: -80.684162 where: bonds (distance) C4'-P energy: -18.283 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -15.582 flat angles P-C4'-P energy: -14.272 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -283.401442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.401442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.401442 (E_RNA) where: Base-Base interactions energy: -196.591 where: short stacking energy: -85.445 Base-Backbone interact. energy: -0.852 local terms energy: -85.958323 where: bonds (distance) C4'-P energy: -16.961 bonds (distance) P-C4' energy: -18.937 flat angles C4'-P-C4' energy: -17.658 flat angles P-C4'-P energy: -13.990 tors. eta vs tors. theta energy: -18.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -267.483200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.483200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.483200 (E_RNA) where: Base-Base interactions energy: -191.397 where: short stacking energy: -81.135 Base-Backbone interact. energy: -0.911 local terms energy: -75.175453 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -18.153 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -12.419 tors. eta vs tors. theta energy: -16.237 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: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -235.146990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.146990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.146990 (E_RNA) where: Base-Base interactions energy: -158.407 where: short stacking energy: -83.286 Base-Backbone interact. energy: 1.018 local terms energy: -77.757638 where: bonds (distance) C4'-P energy: -17.126 bonds (distance) P-C4' energy: -8.616 flat angles C4'-P-C4' energy: -18.929 flat angles P-C4'-P energy: -11.260 tors. eta vs tors. theta energy: -21.827 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: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -269.837851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.837851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.837851 (E_RNA) where: Base-Base interactions energy: -186.301 where: short stacking energy: -71.850 Base-Backbone interact. energy: -0.926 local terms energy: -82.611646 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -17.956 flat angles C4'-P-C4' energy: -17.667 flat angles P-C4'-P energy: -11.565 tors. eta vs tors. theta energy: -21.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -256.026660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.026660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.026660 (E_RNA) where: Base-Base interactions energy: -185.594 where: short stacking energy: -70.051 Base-Backbone interact. energy: -0.162 local terms energy: -70.269778 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -18.186 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -10.695 tors. eta vs tors. theta energy: -11.578 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: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -211.141091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.141091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.141091 (E_RNA) where: Base-Base interactions energy: -136.668 where: short stacking energy: -67.389 Base-Backbone interact. energy: -0.304 local terms energy: -74.168882 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -19.224 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -210.283760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.283760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.283760 (E_RNA) where: Base-Base interactions energy: -142.291 where: short stacking energy: -76.387 Base-Backbone interact. energy: -1.654 local terms energy: -66.338559 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -12.029 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -201.832775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.832775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.832775 (E_RNA) where: Base-Base interactions energy: -136.293 where: short stacking energy: -55.321 Base-Backbone interact. energy: 0.668 local terms energy: -66.207611 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -19.366 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -11.762 tors. eta vs tors. theta energy: -4.912 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: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -102.701034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.701034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.701034 (E_RNA) where: Base-Base interactions energy: -48.364 where: short stacking energy: -34.578 Base-Backbone interact. energy: -0.252 local terms energy: -54.085704 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -11.284 tors. eta vs tors. theta energy: -2.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -298.606434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.606434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.606434 (E_RNA) where: Base-Base interactions energy: -212.445 where: short stacking energy: -87.255 Base-Backbone interact. energy: -0.086 local terms energy: -86.075277 where: bonds (distance) C4'-P energy: -17.988 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -18.768 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -21.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -266.335329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.335329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.335329 (E_RNA) where: Base-Base interactions energy: -185.837 where: short stacking energy: -81.059 Base-Backbone interact. energy: -0.628 local terms energy: -79.869809 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -16.015 tors. eta vs tors. theta energy: -15.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -277.152573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.152573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.152573 (E_RNA) where: Base-Base interactions energy: -202.070 where: short stacking energy: -85.618 Base-Backbone interact. energy: -0.361 local terms energy: -74.721281 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -17.937 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -18.495 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: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -273.880161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.880161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.880161 (E_RNA) where: Base-Base interactions energy: -193.659 where: short stacking energy: -81.836 Base-Backbone interact. energy: -0.092 local terms energy: -80.129722 where: bonds (distance) C4'-P energy: -17.852 bonds (distance) P-C4' energy: -16.630 flat angles C4'-P-C4' energy: -17.239 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -18.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -245.559211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.559211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.559211 (E_RNA) where: Base-Base interactions energy: -172.024 where: short stacking energy: -94.999 Base-Backbone interact. energy: -0.000 local terms energy: -73.535092 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -18.093 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -20.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -252.905318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.905318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.905318 (E_RNA) where: Base-Base interactions energy: -184.863 where: short stacking energy: -73.378 Base-Backbone interact. energy: -1.221 local terms energy: -66.820529 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -9.609 tors. eta vs tors. theta energy: -17.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -217.330475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.330475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.330475 (E_RNA) where: Base-Base interactions energy: -147.362 where: short stacking energy: -74.396 Base-Backbone interact. energy: 1.159 local terms energy: -71.126975 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -16.848 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -16.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -207.490189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.490189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.490189 (E_RNA) where: Base-Base interactions energy: -138.361 where: short stacking energy: -67.257 Base-Backbone interact. energy: -0.521 local terms energy: -68.608188 where: bonds (distance) C4'-P energy: -16.720 bonds (distance) P-C4' energy: -16.568 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -3.883 tors. eta vs tors. theta energy: -17.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -201.771155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.771155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.771155 (E_RNA) where: Base-Base interactions energy: -134.803 where: short stacking energy: -61.764 Base-Backbone interact. energy: -0.133 local terms energy: -66.835324 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -17.307 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -10.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -101.421626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.421626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.421626 (E_RNA) where: Base-Base interactions energy: -55.605 where: short stacking energy: -29.790 Base-Backbone interact. energy: 0.128 local terms energy: -45.944619 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -9.558 flat angles P-C4'-P energy: -7.134 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: 1, replica: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -289.151990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.151990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.151990 (E_RNA) where: Base-Base interactions energy: -203.651 where: short stacking energy: -92.070 Base-Backbone interact. energy: -0.977 local terms energy: -84.524709 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -18.213 flat angles C4'-P-C4' energy: -18.944 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -22.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -273.810243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.810243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.810243 (E_RNA) where: Base-Base interactions energy: -189.081 where: short stacking energy: -79.594 Base-Backbone interact. energy: -0.700 local terms energy: -84.028840 where: bonds (distance) C4'-P energy: -14.982 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -16.568 flat angles P-C4'-P energy: -13.111 tors. eta vs tors. theta energy: -21.476 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: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -281.737090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.737090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.737090 (E_RNA) where: Base-Base interactions energy: -199.508 where: short stacking energy: -90.512 Base-Backbone interact. energy: 0.477 local terms energy: -82.705997 where: bonds (distance) C4'-P energy: -17.565 bonds (distance) P-C4' energy: -18.722 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -22.685 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: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -272.654773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.654773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.654773 (E_RNA) where: Base-Base interactions energy: -197.074 where: short stacking energy: -82.122 Base-Backbone interact. energy: -0.167 local terms energy: -75.413859 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -15.758 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -18.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -250.222164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.222164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.222164 (E_RNA) where: Base-Base interactions energy: -188.880 where: short stacking energy: -71.558 Base-Backbone interact. energy: -0.275 local terms energy: -61.066521 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -18.044 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: 1.219 tors. eta vs tors. theta energy: -13.698 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: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -239.046342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.046342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.046342 (E_RNA) where: Base-Base interactions energy: -159.348 where: short stacking energy: -79.453 Base-Backbone interact. energy: -0.158 local terms energy: -79.540623 where: bonds (distance) C4'-P energy: -14.166 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -13.556 tors. eta vs tors. theta energy: -20.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -225.634335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.634335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.634335 (E_RNA) where: Base-Base interactions energy: -147.167 where: short stacking energy: -69.319 Base-Backbone interact. energy: -0.002 local terms energy: -78.465693 where: bonds (distance) C4'-P energy: -15.047 bonds (distance) P-C4' energy: -17.903 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -22.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -203.679844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.679844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.679844 (E_RNA) where: Base-Base interactions energy: -137.143 where: short stacking energy: -62.081 Base-Backbone interact. energy: -0.144 local terms energy: -66.392849 where: bonds (distance) C4'-P energy: -10.208 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -15.863 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -15.086 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: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -185.482474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.482474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.482474 (E_RNA) where: Base-Base interactions energy: -131.326 where: short stacking energy: -55.159 Base-Backbone interact. energy: 0.629 local terms energy: -54.785641 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -15.198 flat angles P-C4'-P energy: -10.656 tors. eta vs tors. theta energy: -8.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -87.263030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.263030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.263030 (E_RNA) where: Base-Base interactions energy: -37.572 where: short stacking energy: -18.567 Base-Backbone interact. energy: -0.185 local terms energy: -49.505424 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -15.218 flat angles P-C4'-P energy: -7.757 tors. eta vs tors. theta energy: 1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -284.845171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.845171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.845171 (E_RNA) where: Base-Base interactions energy: -198.368 where: short stacking energy: -81.637 Base-Backbone interact. energy: -0.218 local terms energy: -86.259393 where: bonds (distance) C4'-P energy: -17.587 bonds (distance) P-C4' energy: -17.770 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -13.134 tors. eta vs tors. theta energy: -21.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -281.193592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.193592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.193592 (E_RNA) where: Base-Base interactions energy: -202.291 where: short stacking energy: -86.290 Base-Backbone interact. energy: -1.128 local terms energy: -77.774919 where: bonds (distance) C4'-P energy: -16.755 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -17.615 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -16.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -281.977104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.977104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.977104 (E_RNA) where: Base-Base interactions energy: -196.027 where: short stacking energy: -85.989 Base-Backbone interact. energy: -0.362 local terms energy: -85.588288 where: bonds (distance) C4'-P energy: -16.868 bonds (distance) P-C4' energy: -17.627 flat angles C4'-P-C4' energy: -17.132 flat angles P-C4'-P energy: -13.584 tors. eta vs tors. theta energy: -20.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -275.844512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.844512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.844512 (E_RNA) where: Base-Base interactions energy: -196.281 where: short stacking energy: -84.966 Base-Backbone interact. energy: 0.705 local terms energy: -80.267831 where: bonds (distance) C4'-P energy: -18.377 bonds (distance) P-C4' energy: -17.435 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -24.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -259.253010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.253010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.253010 (E_RNA) where: Base-Base interactions energy: -188.457 where: short stacking energy: -75.150 Base-Backbone interact. energy: -0.221 local terms energy: -70.575452 where: bonds (distance) C4'-P energy: -14.663 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -14.566 flat angles P-C4'-P energy: -14.678 tors. eta vs tors. theta energy: -10.283 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: 6, replica: 8 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -221.607817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.607817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.607817 (E_RNA) where: Base-Base interactions energy: -144.210 where: short stacking energy: -71.960 Base-Backbone interact. energy: 1.227 local terms energy: -78.624572 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -17.450 flat angles P-C4'-P energy: -10.473 tors. eta vs tors. theta energy: -22.420 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: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -232.032134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.032134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.032134 (E_RNA) where: Base-Base interactions energy: -159.674 where: short stacking energy: -66.023 Base-Backbone interact. energy: -1.480 local terms energy: -70.877713 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -15.512 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -198.788026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.788026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.788026 (E_RNA) where: Base-Base interactions energy: -130.123 where: short stacking energy: -61.548 Base-Backbone interact. energy: -0.021 local terms energy: -68.643499 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -17.913 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -14.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -209.381775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.381775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.381775 (E_RNA) where: Base-Base interactions energy: -137.943 where: short stacking energy: -67.415 Base-Backbone interact. energy: -0.002 local terms energy: -71.436953 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -19.877 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -14.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -143.474699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.474699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.474699 (E_RNA) where: Base-Base interactions energy: -87.529 where: short stacking energy: -46.015 Base-Backbone interact. energy: -0.226 local terms energy: -55.720014 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -17.181 flat angles C4'-P-C4' energy: -11.039 flat angles P-C4'-P energy: -10.088 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: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -287.988314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.988314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.988314 (E_RNA) where: Base-Base interactions energy: -202.133 where: short stacking energy: -81.548 Base-Backbone interact. energy: -0.536 local terms energy: -85.319248 where: bonds (distance) C4'-P energy: -17.055 bonds (distance) P-C4' energy: -18.618 flat angles C4'-P-C4' energy: -19.925 flat angles P-C4'-P energy: -7.711 tors. eta vs tors. theta energy: -22.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -272.066821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.066821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.066821 (E_RNA) where: Base-Base interactions energy: -197.798 where: short stacking energy: -79.329 Base-Backbone interact. energy: -1.498 local terms energy: -72.771143 where: bonds (distance) C4'-P energy: -8.374 bonds (distance) P-C4' energy: -17.114 flat angles C4'-P-C4' energy: -18.643 flat angles P-C4'-P energy: -11.390 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -274.115732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.115732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.115732 (E_RNA) where: Base-Base interactions energy: -193.127 where: short stacking energy: -77.385 Base-Backbone interact. energy: -1.330 local terms energy: -79.659017 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -17.688 flat angles C4'-P-C4' energy: -16.086 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -19.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -272.903192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.903192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.903192 (E_RNA) where: Base-Base interactions energy: -197.787 where: short stacking energy: -85.011 Base-Backbone interact. energy: -0.069 local terms energy: -75.047227 where: bonds (distance) C4'-P energy: -9.987 bonds (distance) P-C4' energy: -18.393 flat angles C4'-P-C4' energy: -17.706 flat angles P-C4'-P energy: -12.981 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -250.327893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.327893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.327893 (E_RNA) where: Base-Base interactions energy: -186.892 where: short stacking energy: -73.690 Base-Backbone interact. energy: 0.663 local terms energy: -64.098981 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -9.216 flat angles P-C4'-P energy: -12.388 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: 6, replica: 8 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -225.811931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.811931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.811931 (E_RNA) where: Base-Base interactions energy: -160.068 where: short stacking energy: -72.571 Base-Backbone interact. energy: -0.037 local terms energy: -65.706392 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -17.071 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -16.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -225.580052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.580052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.580052 (E_RNA) where: Base-Base interactions energy: -157.948 where: short stacking energy: -69.521 Base-Backbone interact. energy: 3.637 local terms energy: -71.269583 where: bonds (distance) C4'-P energy: -14.567 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -12.057 tors. eta vs tors. theta energy: -14.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -202.905031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.905031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.905031 (E_RNA) where: Base-Base interactions energy: -137.231 where: short stacking energy: -68.901 Base-Backbone interact. energy: -0.001 local terms energy: -65.673117 where: bonds (distance) C4'-P energy: -10.544 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -15.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -190.274660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.274660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.274660 (E_RNA) where: Base-Base interactions energy: -129.289 where: short stacking energy: -56.256 Base-Backbone interact. energy: -0.337 local terms energy: -60.649404 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -12.022 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: 10, replica: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -201.060248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.060248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.060248 (E_RNA) where: Base-Base interactions energy: -136.614 where: short stacking energy: -69.912 Base-Backbone interact. energy: -0.363 local terms energy: -64.082498 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -13.134 tors. eta vs tors. theta energy: -14.565 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: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -287.593878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.593878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.593878 (E_RNA) where: Base-Base interactions energy: -203.177 where: short stacking energy: -86.327 Base-Backbone interact. energy: -1.422 local terms energy: -82.995382 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -18.706 flat angles C4'-P-C4' energy: -17.449 flat angles P-C4'-P energy: -13.451 tors. eta vs tors. theta energy: -17.560 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: 279 Temperature: 0.950000 Total energy: -281.675170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.675170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.675170 (E_RNA) where: Base-Base interactions energy: -199.152 where: short stacking energy: -83.477 Base-Backbone interact. energy: -0.388 local terms energy: -82.135632 where: bonds (distance) C4'-P energy: -18.322 bonds (distance) P-C4' energy: -18.657 flat angles C4'-P-C4' energy: -18.415 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -20.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -274.599039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.599039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.599039 (E_RNA) where: Base-Base interactions energy: -194.201 where: short stacking energy: -81.003 Base-Backbone interact. energy: -0.179 local terms energy: -80.219256 where: bonds (distance) C4'-P energy: -17.184 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -17.114 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -20.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -275.369705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.369705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.369705 (E_RNA) where: Base-Base interactions energy: -204.062 where: short stacking energy: -82.400 Base-Backbone interact. energy: -0.258 local terms energy: -71.050370 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -16.225 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -10.716 tors. eta vs tors. theta energy: -13.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -272.579458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.579458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.579458 (E_RNA) where: Base-Base interactions energy: -197.399 where: short stacking energy: -86.934 Base-Backbone interact. energy: -0.118 local terms energy: -75.062436 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -11.094 tors. eta vs tors. theta energy: -22.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -225.882529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.882529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.882529 (E_RNA) where: Base-Base interactions energy: -149.322 where: short stacking energy: -70.058 Base-Backbone interact. energy: -0.006 local terms energy: -76.554801 where: bonds (distance) C4'-P energy: -15.719 bonds (distance) P-C4' energy: -18.396 flat angles C4'-P-C4' energy: -16.563 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -17.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -255.485698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.485698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.485698 (E_RNA) where: Base-Base interactions energy: -179.938 where: short stacking energy: -71.953 Base-Backbone interact. energy: -0.160 local terms energy: -75.388283 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -15.961 flat angles C4'-P-C4' energy: -18.117 flat angles P-C4'-P energy: -14.024 tors. eta vs tors. theta energy: -20.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -205.299775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.299775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.299775 (E_RNA) where: Base-Base interactions energy: -135.227 where: short stacking energy: -66.848 Base-Backbone interact. energy: -0.008 local terms energy: -70.065284 where: bonds (distance) C4'-P energy: -18.579 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -15.432 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: 7 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -210.565889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.565889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.565889 (E_RNA) where: Base-Base interactions energy: -137.714 where: short stacking energy: -54.935 Base-Backbone interact. energy: -1.152 local terms energy: -71.700322 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -18.266 flat angles C4'-P-C4' energy: -16.554 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -200.081133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.081133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.081133 (E_RNA) where: Base-Base interactions energy: -136.364 where: short stacking energy: -72.788 Base-Backbone interact. energy: -0.024 local terms energy: -63.693303 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -17.409 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -15.106 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: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -285.340215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.340215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.340215 (E_RNA) where: Base-Base interactions energy: -202.142 where: short stacking energy: -84.777 Base-Backbone interact. energy: -0.376 local terms energy: -82.821696 where: bonds (distance) C4'-P energy: -17.834 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -18.023 flat angles P-C4'-P energy: -15.213 tors. eta vs tors. theta energy: -18.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -286.406115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.406115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.406115 (E_RNA) where: Base-Base interactions energy: -204.156 where: short stacking energy: -88.809 Base-Backbone interact. energy: -2.066 local terms energy: -80.184195 where: bonds (distance) C4'-P energy: -17.951 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -21.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -279.021074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.021074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.021074 (E_RNA) where: Base-Base interactions energy: -197.576 where: short stacking energy: -75.647 Base-Backbone interact. energy: -0.430 local terms energy: -81.015381 where: bonds (distance) C4'-P energy: -17.396 bonds (distance) P-C4' energy: -15.679 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -13.611 tors. eta vs tors. theta energy: -17.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -271.615276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.615276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.615276 (E_RNA) where: Base-Base interactions energy: -192.459 where: short stacking energy: -76.431 Base-Backbone interact. energy: -0.966 local terms energy: -78.190593 where: bonds (distance) C4'-P energy: -16.166 bonds (distance) P-C4' energy: -15.217 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -265.088292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.088292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.088292 (E_RNA) where: Base-Base interactions energy: -185.654 where: short stacking energy: -79.528 Base-Backbone interact. energy: -2.321 local terms energy: -77.112422 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -13.892 tors. eta vs tors. theta energy: -18.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -208.545557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.545557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.545557 (E_RNA) where: Base-Base interactions energy: -141.222 where: short stacking energy: -67.904 Base-Backbone interact. energy: 1.028 local terms energy: -68.351340 where: bonds (distance) C4'-P energy: -14.096 bonds (distance) P-C4' energy: -12.262 flat angles C4'-P-C4' energy: -17.034 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -17.885 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: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -249.300366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.300366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.300366 (E_RNA) where: Base-Base interactions energy: -174.164 where: short stacking energy: -85.061 Base-Backbone interact. energy: 1.204 local terms energy: -76.340555 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -17.871 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -21.901 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: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -208.864102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.864102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.864102 (E_RNA) where: Base-Base interactions energy: -141.501 where: short stacking energy: -66.650 Base-Backbone interact. energy: -0.003 local terms energy: -67.359318 where: bonds (distance) C4'-P energy: -15.499 bonds (distance) P-C4' energy: -17.544 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -15.101 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: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -219.097564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.097564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.097564 (E_RNA) where: Base-Base interactions energy: -151.453 where: short stacking energy: -69.987 Base-Backbone interact. energy: -0.027 local terms energy: -67.617136 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -11.935 tors. eta vs tors. theta energy: -18.194 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: 3 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -197.772654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.772654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.772654 (E_RNA) where: Base-Base interactions energy: -138.704 where: short stacking energy: -62.324 Base-Backbone interact. energy: -0.086 local terms energy: -58.982881 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -16.882 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -285.836367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.836367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.836367 (E_RNA) where: Base-Base interactions energy: -208.094 where: short stacking energy: -89.442 Base-Backbone interact. energy: -1.143 local terms energy: -76.599675 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -18.503 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -19.485 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: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -269.994316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.994316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.994316 (E_RNA) where: Base-Base interactions energy: -191.557 where: short stacking energy: -69.179 Base-Backbone interact. energy: -0.242 local terms energy: -78.195581 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -17.251 flat angles C4'-P-C4' energy: -18.247 flat angles P-C4'-P energy: -14.239 tors. eta vs tors. theta energy: -14.698 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: 281 Temperature: 1.000000 Total energy: -279.663036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.663036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.663036 (E_RNA) where: Base-Base interactions energy: -193.397 where: short stacking energy: -81.022 Base-Backbone interact. energy: -0.262 local terms energy: -86.004596 where: bonds (distance) C4'-P energy: -18.728 bonds (distance) P-C4' energy: -16.980 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -12.408 tors. eta vs tors. theta energy: -21.072 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: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -291.455333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.455333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.455333 (E_RNA) where: Base-Base interactions energy: -203.284 where: short stacking energy: -86.490 Base-Backbone interact. energy: -0.098 local terms energy: -88.073169 where: bonds (distance) C4'-P energy: -18.030 bonds (distance) P-C4' energy: -19.131 flat angles C4'-P-C4' energy: -17.546 flat angles P-C4'-P energy: -13.696 tors. eta vs tors. theta energy: -19.670 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: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -263.375752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.375752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.375752 (E_RNA) where: Base-Base interactions energy: -188.390 where: short stacking energy: -80.280 Base-Backbone interact. energy: -0.338 local terms energy: -74.647456 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -17.548 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -19.284 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: 281 Temperature: 1.150000 Total energy: -262.200957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.200957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.200957 (E_RNA) where: Base-Base interactions energy: -189.145 where: short stacking energy: -83.261 Base-Backbone interact. energy: 0.384 local terms energy: -73.440497 where: bonds (distance) C4'-P energy: -15.078 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -12.348 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -209.364918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.364918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.364918 (E_RNA) where: Base-Base interactions energy: -139.387 where: short stacking energy: -70.817 Base-Backbone interact. energy: -0.033 local terms energy: -69.944119 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -9.834 flat angles C4'-P-C4' energy: -17.132 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -19.261 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: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -221.042586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.042586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.042586 (E_RNA) where: Base-Base interactions energy: -152.791 where: short stacking energy: -84.436 Base-Backbone interact. energy: -0.019 local terms energy: -68.233060 where: bonds (distance) C4'-P energy: -16.136 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -19.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -205.234155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.234155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.234155 (E_RNA) where: Base-Base interactions energy: -136.536 where: short stacking energy: -68.272 Base-Backbone interact. energy: -0.137 local terms energy: -68.561628 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -16.832 flat angles C4'-P-C4' energy: -9.863 flat angles P-C4'-P energy: -12.134 tors. eta vs tors. theta energy: -15.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -175.027239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.027239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.027239 (E_RNA) where: Base-Base interactions energy: -114.798 where: short stacking energy: -46.920 Base-Backbone interact. energy: -0.169 local terms energy: -60.059550 where: bonds (distance) C4'-P energy: -9.802 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -12.778 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: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -275.445260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.445260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.445260 (E_RNA) where: Base-Base interactions energy: -205.053 where: short stacking energy: -78.690 Base-Backbone interact. energy: 0.220 local terms energy: -70.613031 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -15.784 flat angles P-C4'-P energy: -11.043 tors. eta vs tors. theta energy: -13.797 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: 1 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -283.004484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.004484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.004484 (E_RNA) where: Base-Base interactions energy: -209.612 where: short stacking energy: -88.772 Base-Backbone interact. energy: -0.101 local terms energy: -73.291000 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -16.343 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -9.855 tors. eta vs tors. theta energy: -19.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -284.057880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.057880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.057880 (E_RNA) where: Base-Base interactions energy: -202.943 where: short stacking energy: -79.574 Base-Backbone interact. energy: -0.918 local terms energy: -80.196025 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -16.244 flat angles C4'-P-C4' energy: -16.545 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -21.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -271.534157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.534157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.534157 (E_RNA) where: Base-Base interactions energy: -190.275 where: short stacking energy: -80.869 Base-Backbone interact. energy: -0.291 local terms energy: -80.968398 where: bonds (distance) C4'-P energy: -17.913 bonds (distance) P-C4' energy: -17.438 flat angles C4'-P-C4' energy: -18.075 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -15.897 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: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -266.134467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.134467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.134467 (E_RNA) where: Base-Base interactions energy: -187.977 where: short stacking energy: -80.706 Base-Backbone interact. energy: -1.571 local terms energy: -76.586438 where: bonds (distance) C4'-P energy: -16.478 bonds (distance) P-C4' energy: -16.566 flat angles C4'-P-C4' energy: -14.497 flat angles P-C4'-P energy: -11.654 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -256.016989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.016989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.016989 (E_RNA) where: Base-Base interactions energy: -177.658 where: short stacking energy: -79.707 Base-Backbone interact. energy: -0.213 local terms energy: -78.145944 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -16.198 flat angles P-C4'-P energy: -14.713 tors. eta vs tors. theta energy: -16.886 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: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -216.567996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.567996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.567996 (E_RNA) where: Base-Base interactions energy: -147.301 where: short stacking energy: -77.234 Base-Backbone interact. energy: -0.007 local terms energy: -69.260688 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -17.540 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -16.746 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: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -220.659789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.659789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.659789 (E_RNA) where: Base-Base interactions energy: -146.121 where: short stacking energy: -79.979 Base-Backbone interact. energy: -0.371 local terms energy: -74.168428 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -16.046 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -12.793 tors. eta vs tors. theta energy: -17.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -199.930251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.930251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.930251 (E_RNA) where: Base-Base interactions energy: -135.138 where: short stacking energy: -64.911 Base-Backbone interact. energy: -0.222 local terms energy: -64.570024 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -10.877 tors. eta vs tors. theta energy: -15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -191.073691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.073691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.073691 (E_RNA) where: Base-Base interactions energy: -126.267 where: short stacking energy: -52.502 Base-Backbone interact. energy: -0.106 local terms energy: -64.700540 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -12.227 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: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -277.864882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.864882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.864882 (E_RNA) where: Base-Base interactions energy: -198.767 where: short stacking energy: -81.864 Base-Backbone interact. energy: -0.228 local terms energy: -78.870706 where: bonds (distance) C4'-P energy: -17.598 bonds (distance) P-C4' energy: -18.474 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -15.948 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: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -281.184623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.184623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.184623 (E_RNA) where: Base-Base interactions energy: -201.708 where: short stacking energy: -85.579 Base-Backbone interact. energy: -0.401 local terms energy: -79.075727 where: bonds (distance) C4'-P energy: -17.080 bonds (distance) P-C4' energy: -17.579 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -19.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -282.652374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.652374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.652374 (E_RNA) where: Base-Base interactions energy: -210.453 where: short stacking energy: -94.808 Base-Backbone interact. energy: -0.117 local terms energy: -72.082438 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -16.142 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -20.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -273.269238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.269238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.269238 (E_RNA) where: Base-Base interactions energy: -189.641 where: short stacking energy: -82.965 Base-Backbone interact. energy: -0.289 local terms energy: -83.339066 where: bonds (distance) C4'-P energy: -17.527 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -18.075 flat angles P-C4'-P energy: -13.922 tors. eta vs tors. theta energy: -19.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -269.228045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.228045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.228045 (E_RNA) where: Base-Base interactions energy: -188.962 where: short stacking energy: -80.287 Base-Backbone interact. energy: -0.542 local terms energy: -79.723671 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -17.553 flat angles P-C4'-P energy: -13.407 tors. eta vs tors. theta energy: -19.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -258.578086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.578086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.578086 (E_RNA) where: Base-Base interactions energy: -187.829 where: short stacking energy: -70.744 Base-Backbone interact. energy: -0.268 local terms energy: -70.481056 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -10.399 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -11.890 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -229.225671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.225671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.225671 (E_RNA) where: Base-Base interactions energy: -154.295 where: short stacking energy: -72.882 Base-Backbone interact. energy: 0.091 local terms energy: -75.021450 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -14.541 flat angles C4'-P-C4' energy: -19.717 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -15.230 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: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -209.828603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.828603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.828603 (E_RNA) where: Base-Base interactions energy: -141.310 where: short stacking energy: -63.876 Base-Backbone interact. energy: -0.499 local terms energy: -68.018791 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -14.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -197.288029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.288029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.288029 (E_RNA) where: Base-Base interactions energy: -134.053 where: short stacking energy: -62.265 Base-Backbone interact. energy: 0.554 local terms energy: -63.789321 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -18.516 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -14.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -194.342604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.342604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.342604 (E_RNA) where: Base-Base interactions energy: -129.007 where: short stacking energy: -49.753 Base-Backbone interact. energy: -0.311 local terms energy: -65.023616 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -19.620 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -14.140 tors. eta vs tors. theta energy: -8.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -290.962668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.962668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.962668 (E_RNA) where: Base-Base interactions energy: -203.406 where: short stacking energy: -87.042 Base-Backbone interact. energy: -0.096 local terms energy: -87.460302 where: bonds (distance) C4'-P energy: -17.457 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -18.308 flat angles P-C4'-P energy: -12.041 tors. eta vs tors. theta energy: -22.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -269.581082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.581082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.581082 (E_RNA) where: Base-Base interactions energy: -191.092 where: short stacking energy: -75.523 Base-Backbone interact. energy: -0.238 local terms energy: -78.250586 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -18.318 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -13.049 tors. eta vs tors. theta energy: -15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -279.084235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.084235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.084235 (E_RNA) where: Base-Base interactions energy: -198.539 where: short stacking energy: -83.336 Base-Backbone interact. energy: -0.064 local terms energy: -80.481626 where: bonds (distance) C4'-P energy: -14.943 bonds (distance) P-C4' energy: -18.464 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -21.052 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: 284 Temperature: 1.050000 Total energy: -266.951062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.951062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.951062 (E_RNA) where: Base-Base interactions energy: -190.865 where: short stacking energy: -79.669 Base-Backbone interact. energy: 2.816 local terms energy: -78.901303 where: bonds (distance) C4'-P energy: -16.403 bonds (distance) P-C4' energy: -15.302 flat angles C4'-P-C4' energy: -19.096 flat angles P-C4'-P energy: -10.680 tors. eta vs tors. theta energy: -17.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -280.403472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.403472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.403472 (E_RNA) where: Base-Base interactions energy: -199.221 where: short stacking energy: -87.138 Base-Backbone interact. energy: -1.609 local terms energy: -79.572778 where: bonds (distance) C4'-P energy: -17.388 bonds (distance) P-C4' energy: -17.377 flat angles C4'-P-C4' energy: -16.152 flat angles P-C4'-P energy: -11.462 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -264.910078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.910078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.910078 (E_RNA) where: Base-Base interactions energy: -192.065 where: short stacking energy: -81.320 Base-Backbone interact. energy: -0.658 local terms energy: -72.187158 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -17.854 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -18.300 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: 8 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -205.461084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.461084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.461084 (E_RNA) where: Base-Base interactions energy: -134.585 where: short stacking energy: -64.086 Base-Backbone interact. energy: -0.115 local terms energy: -70.760757 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -15.543 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -15.127 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: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -212.788282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.788282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.788282 (E_RNA) where: Base-Base interactions energy: -140.614 where: short stacking energy: -68.386 Base-Backbone interact. energy: 0.842 local terms energy: -73.016234 where: bonds (distance) C4'-P energy: -16.142 bonds (distance) P-C4' energy: -16.427 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -15.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -204.059060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.059060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.059060 (E_RNA) where: Base-Base interactions energy: -148.577 where: short stacking energy: -73.559 Base-Backbone interact. energy: -0.039 local terms energy: -55.442564 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -15.823 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: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -201.603417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.603417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.603417 (E_RNA) where: Base-Base interactions energy: -129.313 where: short stacking energy: -63.609 Base-Backbone interact. energy: -0.041 local terms energy: -72.249201 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -15.922 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -12.742 tors. eta vs tors. theta energy: -13.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -285.488175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.488175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.488175 (E_RNA) where: Base-Base interactions energy: -203.592 where: short stacking energy: -83.190 Base-Backbone interact. energy: 0.939 local terms energy: -82.835228 where: bonds (distance) C4'-P energy: -18.385 bonds (distance) P-C4' energy: -14.689 flat angles C4'-P-C4' energy: -17.441 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -20.872 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: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -279.658588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.658588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.658588 (E_RNA) where: Base-Base interactions energy: -195.377 where: short stacking energy: -81.276 Base-Backbone interact. energy: -0.629 local terms energy: -83.652778 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -19.743 flat angles C4'-P-C4' energy: -18.507 flat angles P-C4'-P energy: -14.029 tors. eta vs tors. theta energy: -16.641 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: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -273.396039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.396039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.396039 (E_RNA) where: Base-Base interactions energy: -202.326 where: short stacking energy: -79.274 Base-Backbone interact. energy: -1.102 local terms energy: -69.967871 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -16.090 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -16.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -278.003427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.003427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.003427 (E_RNA) where: Base-Base interactions energy: -199.754 where: short stacking energy: -88.716 Base-Backbone interact. energy: -0.796 local terms energy: -77.454285 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -18.145 flat angles P-C4'-P energy: -11.963 tors. eta vs tors. theta energy: -19.649 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: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -271.800319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.800319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.800319 (E_RNA) where: Base-Base interactions energy: -189.568 where: short stacking energy: -77.592 Base-Backbone interact. energy: -0.958 local terms energy: -81.274505 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -16.582 flat angles C4'-P-C4' energy: -19.340 flat angles P-C4'-P energy: -12.966 tors. eta vs tors. theta energy: -16.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -255.507059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.507059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.507059 (E_RNA) where: Base-Base interactions energy: -174.861 where: short stacking energy: -75.607 Base-Backbone interact. energy: -0.439 local terms energy: -80.206823 where: bonds (distance) C4'-P energy: -17.785 bonds (distance) P-C4' energy: -18.855 flat angles C4'-P-C4' energy: -16.168 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -16.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -211.352325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.352325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.352325 (E_RNA) where: Base-Base interactions energy: -142.524 where: short stacking energy: -64.789 Base-Backbone interact. energy: -0.528 local terms energy: -68.299588 where: bonds (distance) C4'-P energy: -15.847 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -16.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -233.362789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.362789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.362789 (E_RNA) where: Base-Base interactions energy: -177.427 where: short stacking energy: -66.843 Base-Backbone interact. energy: -0.201 local terms energy: -55.735388 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -8.321 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -13.314 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: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -213.537342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.537342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.537342 (E_RNA) where: Base-Base interactions energy: -142.705 where: short stacking energy: -70.127 Base-Backbone interact. energy: -0.006 local terms energy: -70.826245 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -16.460 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -18.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -185.410738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.410738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.410738 (E_RNA) where: Base-Base interactions energy: -127.858 where: short stacking energy: -48.070 Base-Backbone interact. energy: -0.121 local terms energy: -57.431760 where: bonds (distance) C4'-P energy: -15.639 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -16.756 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -289.757770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.757770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.757770 (E_RNA) where: Base-Base interactions energy: -205.127 where: short stacking energy: -84.205 Base-Backbone interact. energy: -0.223 local terms energy: -84.408205 where: bonds (distance) C4'-P energy: -16.732 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -17.035 flat angles P-C4'-P energy: -13.464 tors. eta vs tors. theta energy: -21.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -286.790368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.790368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.790368 (E_RNA) where: Base-Base interactions energy: -203.376 where: short stacking energy: -84.297 Base-Backbone interact. energy: -0.145 local terms energy: -83.269527 where: bonds (distance) C4'-P energy: -18.666 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -16.931 flat angles P-C4'-P energy: -11.490 tors. eta vs tors. theta energy: -20.252 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: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -278.447750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.447750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.447750 (E_RNA) where: Base-Base interactions energy: -200.125 where: short stacking energy: -83.599 Base-Backbone interact. energy: -1.230 local terms energy: -77.092823 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -17.033 flat angles C4'-P-C4' energy: -16.945 flat angles P-C4'-P energy: -7.439 tors. eta vs tors. theta energy: -20.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -260.367738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.367738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.367738 (E_RNA) where: Base-Base interactions energy: -189.211 where: short stacking energy: -68.664 Base-Backbone interact. energy: -1.313 local terms energy: -69.844115 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -16.529 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -12.774 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -270.346570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.346570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.346570 (E_RNA) where: Base-Base interactions energy: -189.785 where: short stacking energy: -81.342 Base-Backbone interact. energy: -0.276 local terms energy: -80.285654 where: bonds (distance) C4'-P energy: -16.692 bonds (distance) P-C4' energy: -17.875 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -18.291 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: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -273.526200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.526200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.526200 (E_RNA) where: Base-Base interactions energy: -196.415 where: short stacking energy: -81.226 Base-Backbone interact. energy: 0.300 local terms energy: -77.411088 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -18.094 flat angles C4'-P-C4' energy: -17.795 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -18.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -263.660359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.660359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.660359 (E_RNA) where: Base-Base interactions energy: -188.344 where: short stacking energy: -80.255 Base-Backbone interact. energy: -0.127 local terms energy: -75.189410 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -13.240 flat angles C4'-P-C4' energy: -18.127 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -16.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -208.352473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.352473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.352473 (E_RNA) where: Base-Base interactions energy: -137.593 where: short stacking energy: -65.379 Base-Backbone interact. energy: -0.196 local terms energy: -70.564058 where: bonds (distance) C4'-P energy: -18.981 bonds (distance) P-C4' energy: -16.154 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -12.436 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: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -208.844844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.844844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.844844 (E_RNA) where: Base-Base interactions energy: -142.055 where: short stacking energy: -73.034 Base-Backbone interact. energy: -0.414 local terms energy: -66.375925 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -13.646 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -15.207 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: 3 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -206.248105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.248105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.248105 (E_RNA) where: Base-Base interactions energy: -132.536 where: short stacking energy: -54.544 Base-Backbone interact. energy: -0.099 local terms energy: -73.613457 where: bonds (distance) C4'-P energy: -16.008 bonds (distance) P-C4' energy: -19.957 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -19.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -284.814424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.814424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.814424 (E_RNA) where: Base-Base interactions energy: -196.397 where: short stacking energy: -79.312 Base-Backbone interact. energy: -0.770 local terms energy: -87.646743 where: bonds (distance) C4'-P energy: -17.562 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -15.131 tors. eta vs tors. theta energy: -20.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -285.595678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.595678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.595678 (E_RNA) where: Base-Base interactions energy: -201.729 where: short stacking energy: -84.054 Base-Backbone interact. energy: 1.476 local terms energy: -85.343219 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -17.438 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -14.170 tors. eta vs tors. theta energy: -20.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -285.903253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.903253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.903253 (E_RNA) where: Base-Base interactions energy: -202.317 where: short stacking energy: -85.424 Base-Backbone interact. energy: -1.843 local terms energy: -81.743565 where: bonds (distance) C4'-P energy: -15.843 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -17.031 flat angles P-C4'-P energy: -14.222 tors. eta vs tors. theta energy: -19.286 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: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -274.854999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.854999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.854999 (E_RNA) where: Base-Base interactions energy: -205.818 where: short stacking energy: -91.133 Base-Backbone interact. energy: -0.136 local terms energy: -68.901151 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -8.979 flat angles C4'-P-C4' energy: -16.144 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -17.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -267.192631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.192631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.192631 (E_RNA) where: Base-Base interactions energy: -195.235 where: short stacking energy: -77.289 Base-Backbone interact. energy: -0.597 local terms energy: -71.360639 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -16.743 flat angles P-C4'-P energy: -10.462 tors. eta vs tors. theta energy: -15.832 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: 287 Temperature: 1.150000 Total energy: -264.007121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.007121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.007121 (E_RNA) where: Base-Base interactions energy: -185.946 where: short stacking energy: -80.102 Base-Backbone interact. energy: -0.108 local terms energy: -77.952930 where: bonds (distance) C4'-P energy: -17.001 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -15.582 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -19.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -259.725017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.725017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.725017 (E_RNA) where: Base-Base interactions energy: -185.711 where: short stacking energy: -71.439 Base-Backbone interact. energy: 0.141 local terms energy: -74.155697 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -16.743 flat angles C4'-P-C4' energy: -18.419 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -18.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -196.357244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.357244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.357244 (E_RNA) where: Base-Base interactions energy: -131.433 where: short stacking energy: -58.513 Base-Backbone interact. energy: -0.111 local terms energy: -64.813295 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -12.195 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -14.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -208.732739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.732739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.732739 (E_RNA) where: Base-Base interactions energy: -140.136 where: short stacking energy: -64.312 Base-Backbone interact. energy: -0.456 local terms energy: -68.140465 where: bonds (distance) C4'-P energy: -10.966 bonds (distance) P-C4' energy: -18.349 flat angles C4'-P-C4' energy: -17.514 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -11.921 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: 3 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -223.238780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.238780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.238780 (E_RNA) where: Base-Base interactions energy: -162.097 where: short stacking energy: -63.114 Base-Backbone interact. energy: -0.054 local terms energy: -61.088029 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -14.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -278.050727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.050727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.050727 (E_RNA) where: Base-Base interactions energy: -197.580 where: short stacking energy: -82.821 Base-Backbone interact. energy: -0.284 local terms energy: -80.187187 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -15.951 flat angles C4'-P-C4' energy: -17.985 flat angles P-C4'-P energy: -13.939 tors. eta vs tors. theta energy: -18.373 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: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -278.958531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.958531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.958531 (E_RNA) where: Base-Base interactions energy: -196.940 where: short stacking energy: -79.514 Base-Backbone interact. energy: -0.234 local terms energy: -81.785184 where: bonds (distance) C4'-P energy: -15.353 bonds (distance) P-C4' energy: -15.865 flat angles C4'-P-C4' energy: -17.775 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -21.267 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: 10 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -282.063127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.063127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.063127 (E_RNA) where: Base-Base interactions energy: -196.708 where: short stacking energy: -84.170 Base-Backbone interact. energy: -0.972 local terms energy: -84.382400 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -17.534 flat angles C4'-P-C4' energy: -18.449 flat angles P-C4'-P energy: -13.456 tors. eta vs tors. theta energy: -21.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -270.091084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.091084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.091084 (E_RNA) where: Base-Base interactions energy: -192.131 where: short stacking energy: -80.519 Base-Backbone interact. energy: -1.453 local terms energy: -76.507069 where: bonds (distance) C4'-P energy: -15.785 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -20.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -258.181160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.181160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.181160 (E_RNA) where: Base-Base interactions energy: -189.793 where: short stacking energy: -68.935 Base-Backbone interact. energy: -0.205 local terms energy: -68.183512 where: bonds (distance) C4'-P energy: -17.283 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -12.423 tors. eta vs tors. theta energy: -12.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -264.846603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.846603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.846603 (E_RNA) where: Base-Base interactions energy: -181.564 where: short stacking energy: -78.681 Base-Backbone interact. energy: -1.455 local terms energy: -81.828149 where: bonds (distance) C4'-P energy: -15.388 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -20.137 flat angles P-C4'-P energy: -13.233 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -256.177651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.177651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.177651 (E_RNA) where: Base-Base interactions energy: -190.692 where: short stacking energy: -74.730 Base-Backbone interact. energy: -0.520 local terms energy: -64.965679 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -16.014 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -17.377 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: 288 Temperature: 1.250000 Total energy: -204.578612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.578612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.578612 (E_RNA) where: Base-Base interactions energy: -137.506 where: short stacking energy: -59.827 Base-Backbone interact. energy: -0.136 local terms energy: -66.936438 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -17.128 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -211.716673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.716673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.716673 (E_RNA) where: Base-Base interactions energy: -145.568 where: short stacking energy: -66.638 Base-Backbone interact. energy: 1.366 local terms energy: -67.514710 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -12.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -206.619327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.619327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.619327 (E_RNA) where: Base-Base interactions energy: -136.904 where: short stacking energy: -58.853 Base-Backbone interact. energy: 0.655 local terms energy: -70.370039 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -13.560 tors. eta vs tors. theta energy: -12.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -285.352852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.352852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.352852 (E_RNA) where: Base-Base interactions energy: -202.607 where: short stacking energy: -85.693 Base-Backbone interact. energy: -0.046 local terms energy: -82.700358 where: bonds (distance) C4'-P energy: -18.131 bonds (distance) P-C4' energy: -18.143 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -22.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -279.063897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.063897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.063897 (E_RNA) where: Base-Base interactions energy: -200.235 where: short stacking energy: -85.904 Base-Backbone interact. energy: -1.454 local terms energy: -77.374604 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -18.210 flat angles C4'-P-C4' energy: -17.049 flat angles P-C4'-P energy: -11.777 tors. eta vs tors. theta energy: -16.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -286.432795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.432795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.432795 (E_RNA) where: Base-Base interactions energy: -207.194 where: short stacking energy: -87.965 Base-Backbone interact. energy: 0.170 local terms energy: -79.408627 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -17.214 flat angles P-C4'-P energy: -13.164 tors. eta vs tors. theta energy: -21.052 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: 2 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -271.291037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.291037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.291037 (E_RNA) where: Base-Base interactions energy: -187.025 where: short stacking energy: -84.215 Base-Backbone interact. energy: -0.399 local terms energy: -83.867313 where: bonds (distance) C4'-P energy: -16.728 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -17.067 flat angles P-C4'-P energy: -12.313 tors. eta vs tors. theta energy: -19.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -257.599338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.599338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.599338 (E_RNA) where: Base-Base interactions energy: -187.999 where: short stacking energy: -66.459 Base-Backbone interact. energy: 0.087 local terms energy: -69.687042 where: bonds (distance) C4'-P energy: -16.490 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -16.143 flat angles P-C4'-P energy: -8.101 tors. eta vs tors. theta energy: -13.134 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: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -255.754321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.754321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.754321 (E_RNA) where: Base-Base interactions energy: -177.810 where: short stacking energy: -73.791 Base-Backbone interact. energy: -0.123 local terms energy: -77.821267 where: bonds (distance) C4'-P energy: -16.390 bonds (distance) P-C4' energy: -17.510 flat angles C4'-P-C4' energy: -16.490 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -19.576 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: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -239.522312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.522312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.522312 (E_RNA) where: Base-Base interactions energy: -163.001 where: short stacking energy: -60.250 Base-Backbone interact. energy: -0.147 local terms energy: -76.374783 where: bonds (distance) C4'-P energy: -18.145 bonds (distance) P-C4' energy: -18.856 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -15.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -221.714946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.714946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.714946 (E_RNA) where: Base-Base interactions energy: -148.054 where: short stacking energy: -72.923 Base-Backbone interact. energy: -0.142 local terms energy: -73.518948 where: bonds (distance) C4'-P energy: -13.822 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -18.672 flat angles P-C4'-P energy: -11.890 tors. eta vs tors. theta energy: -15.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -195.393356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.393356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.393356 (E_RNA) where: Base-Base interactions energy: -133.867 where: short stacking energy: -71.376 Base-Backbone interact. energy: -0.410 local terms energy: -61.116757 where: bonds (distance) C4'-P energy: -15.123 bonds (distance) P-C4' energy: -8.588 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -15.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -195.914774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.914774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.914774 (E_RNA) where: Base-Base interactions energy: -127.914 where: short stacking energy: -58.165 Base-Backbone interact. energy: -0.146 local terms energy: -67.855015 where: bonds (distance) C4'-P energy: -16.366 bonds (distance) P-C4' energy: -16.743 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -10.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -281.927598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.927598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.927598 (E_RNA) where: Base-Base interactions energy: -200.993 where: short stacking energy: -84.268 Base-Backbone interact. energy: -0.941 local terms energy: -79.994197 where: bonds (distance) C4'-P energy: -14.488 bonds (distance) P-C4' energy: -16.860 flat angles C4'-P-C4' energy: -17.242 flat angles P-C4'-P energy: -12.985 tors. eta vs tors. theta energy: -18.420 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: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -283.713956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.713956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.713956 (E_RNA) where: Base-Base interactions energy: -196.929 where: short stacking energy: -88.811 Base-Backbone interact. energy: -0.083 local terms energy: -86.701796 where: bonds (distance) C4'-P energy: -17.847 bonds (distance) P-C4' energy: -15.845 flat angles C4'-P-C4' energy: -18.247 flat angles P-C4'-P energy: -13.774 tors. eta vs tors. theta energy: -20.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -273.971012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.971012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.971012 (E_RNA) where: Base-Base interactions energy: -194.451 where: short stacking energy: -82.907 Base-Backbone interact. energy: 0.254 local terms energy: -79.773765 where: bonds (distance) C4'-P energy: -15.511 bonds (distance) P-C4' energy: -15.801 flat angles C4'-P-C4' energy: -18.560 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -20.278 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: 2 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -272.130157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.130157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.130157 (E_RNA) where: Base-Base interactions energy: -190.513 where: short stacking energy: -82.096 Base-Backbone interact. energy: -0.585 local terms energy: -81.032096 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -17.790 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -11.279 tors. eta vs tors. theta energy: -20.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -263.997960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.997960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.997960 (E_RNA) where: Base-Base interactions energy: -200.389 where: short stacking energy: -83.562 Base-Backbone interact. energy: -1.335 local terms energy: -62.273187 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -11.071 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -18.983 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: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -252.641465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.641465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.641465 (E_RNA) where: Base-Base interactions energy: -182.753 where: short stacking energy: -70.060 Base-Backbone interact. energy: -1.425 local terms energy: -68.462956 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -15.579 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -15.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -260.530355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.530355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.530355 (E_RNA) where: Base-Base interactions energy: -194.874 where: short stacking energy: -82.516 Base-Backbone interact. energy: 0.558 local terms energy: -66.214361 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -16.615 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -202.466525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.466525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.466525 (E_RNA) where: Base-Base interactions energy: -131.634 where: short stacking energy: -53.802 Base-Backbone interact. energy: 0.450 local terms energy: -71.282600 where: bonds (distance) C4'-P energy: -17.920 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -12.487 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: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -201.468589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.468589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.468589 (E_RNA) where: Base-Base interactions energy: -130.938 where: short stacking energy: -67.596 Base-Backbone interact. energy: -0.098 local terms energy: -70.432332 where: bonds (distance) C4'-P energy: -17.144 bonds (distance) P-C4' energy: -12.686 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -13.377 tors. eta vs tors. theta energy: -14.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -189.642191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.642191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.642191 (E_RNA) where: Base-Base interactions energy: -127.612 where: short stacking energy: -58.127 Base-Backbone interact. energy: -0.015 local terms energy: -62.015281 where: bonds (distance) C4'-P energy: -8.398 bonds (distance) P-C4' energy: -15.224 flat angles C4'-P-C4' energy: -17.567 flat angles P-C4'-P energy: -10.137 tors. eta vs tors. theta energy: -10.689 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: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -280.920370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.920370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.920370 (E_RNA) where: Base-Base interactions energy: -198.902 where: short stacking energy: -81.489 Base-Backbone interact. energy: -0.260 local terms energy: -81.758056 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -16.489 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -14.880 tors. eta vs tors. theta energy: -21.709 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: 291 Temperature: 0.950000 Total energy: -273.385853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.385853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.385853 (E_RNA) where: Base-Base interactions energy: -192.355 where: short stacking energy: -84.240 Base-Backbone interact. energy: -0.270 local terms energy: -80.760639 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -20.505 flat angles C4'-P-C4' energy: -17.563 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -16.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -273.740281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.740281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.740281 (E_RNA) where: Base-Base interactions energy: -199.962 where: short stacking energy: -83.529 Base-Backbone interact. energy: 0.372 local terms energy: -74.150123 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -19.059 flat angles C4'-P-C4' energy: -17.400 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -18.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -265.612203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.612203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.612203 (E_RNA) where: Base-Base interactions energy: -185.114 where: short stacking energy: -76.804 Base-Backbone interact. energy: -0.601 local terms energy: -79.896525 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -17.521 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -14.134 tors. eta vs tors. theta energy: -20.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -268.409124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.409124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.409124 (E_RNA) where: Base-Base interactions energy: -198.144 where: short stacking energy: -87.644 Base-Backbone interact. energy: -0.945 local terms energy: -69.319669 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -15.757 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -12.234 tors. eta vs tors. theta energy: -21.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -251.290545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.290545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.290545 (E_RNA) where: Base-Base interactions energy: -171.389 where: short stacking energy: -78.539 Base-Backbone interact. energy: 0.910 local terms energy: -80.811423 where: bonds (distance) C4'-P energy: -16.625 bonds (distance) P-C4' energy: -17.078 flat angles C4'-P-C4' energy: -15.218 flat angles P-C4'-P energy: -14.196 tors. eta vs tors. theta energy: -17.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -251.534820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.534820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.534820 (E_RNA) where: Base-Base interactions energy: -184.515 where: short stacking energy: -72.124 Base-Backbone interact. energy: -0.347 local terms energy: -66.673193 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -15.400 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: 9 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -199.627850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.627850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.627850 (E_RNA) where: Base-Base interactions energy: -122.864 where: short stacking energy: -56.321 Base-Backbone interact. energy: -0.013 local terms energy: -76.750959 where: bonds (distance) C4'-P energy: -16.606 bonds (distance) P-C4' energy: -19.277 flat angles C4'-P-C4' energy: -17.288 flat angles P-C4'-P energy: -11.281 tors. eta vs tors. theta energy: -12.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -202.151172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.151172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.151172 (E_RNA) where: Base-Base interactions energy: -139.090 where: short stacking energy: -58.848 Base-Backbone interact. energy: -0.030 local terms energy: -63.031113 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -16.221 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: -11.011 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: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -180.389360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.389360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.389360 (E_RNA) where: Base-Base interactions energy: -115.473 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.185 local terms energy: -64.731060 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -17.058 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -7.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -284.492524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.492524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.492524 (E_RNA) where: Base-Base interactions energy: -204.909 where: short stacking energy: -80.129 Base-Backbone interact. energy: -0.170 local terms energy: -79.413296 where: bonds (distance) C4'-P energy: -14.632 bonds (distance) P-C4' energy: -19.074 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -21.722 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: 10 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -278.124864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.124864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.124864 (E_RNA) where: Base-Base interactions energy: -193.884 where: short stacking energy: -75.853 Base-Backbone interact. energy: -0.716 local terms energy: -83.524816 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -19.003 flat angles C4'-P-C4' energy: -16.863 flat angles P-C4'-P energy: -13.422 tors. eta vs tors. theta energy: -20.138 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: 1 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -273.399029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.399029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.399029 (E_RNA) where: Base-Base interactions energy: -195.640 where: short stacking energy: -80.697 Base-Backbone interact. energy: -1.510 local terms energy: -76.249898 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -21.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -275.945742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.945742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.945742 (E_RNA) where: Base-Base interactions energy: -198.869 where: short stacking energy: -85.083 Base-Backbone interact. energy: -0.099 local terms energy: -76.977480 where: bonds (distance) C4'-P energy: -15.168 bonds (distance) P-C4' energy: -12.076 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -22.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -264.539598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.539598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.539598 (E_RNA) where: Base-Base interactions energy: -187.258 where: short stacking energy: -72.960 Base-Backbone interact. energy: -0.092 local terms energy: -77.189631 where: bonds (distance) C4'-P energy: -18.542 bonds (distance) P-C4' energy: -16.645 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -18.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -241.156076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.156076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.156076 (E_RNA) where: Base-Base interactions energy: -170.146 where: short stacking energy: -71.678 Base-Backbone interact. energy: -0.778 local terms energy: -70.232229 where: bonds (distance) C4'-P energy: -11.475 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -13.563 tors. eta vs tors. theta energy: -16.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -252.480770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.480770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.480770 (E_RNA) where: Base-Base interactions energy: -192.048 where: short stacking energy: -75.445 Base-Backbone interact. energy: 0.453 local terms energy: -60.885600 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -13.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -200.380014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.380014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.380014 (E_RNA) where: Base-Base interactions energy: -132.303 where: short stacking energy: -58.899 Base-Backbone interact. energy: -0.309 local terms energy: -67.767960 where: bonds (distance) C4'-P energy: -11.529 bonds (distance) P-C4' energy: -17.505 flat angles C4'-P-C4' energy: -16.277 flat angles P-C4'-P energy: -12.837 tors. eta vs tors. theta energy: -9.621 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: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -174.287591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.287591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.287591 (E_RNA) where: Base-Base interactions energy: -116.872 where: short stacking energy: -48.910 Base-Backbone interact. energy: -0.116 local terms energy: -57.299628 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -18.484 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -9.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -178.107787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.107787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.107787 (E_RNA) where: Base-Base interactions energy: -121.477 where: short stacking energy: -53.834 Base-Backbone interact. energy: -0.096 local terms energy: -56.535021 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -16.381 flat angles P-C4'-P energy: -5.955 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: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -285.545894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.545894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.545894 (E_RNA) where: Base-Base interactions energy: -197.171 where: short stacking energy: -82.667 Base-Backbone interact. energy: -0.126 local terms energy: -88.248765 where: bonds (distance) C4'-P energy: -18.746 bonds (distance) P-C4' energy: -19.793 flat angles C4'-P-C4' energy: -18.937 flat angles P-C4'-P energy: -12.624 tors. eta vs tors. theta energy: -18.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -283.205308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.205308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.205308 (E_RNA) where: Base-Base interactions energy: -197.320 where: short stacking energy: -80.040 Base-Backbone interact. energy: -0.351 local terms energy: -85.534471 where: bonds (distance) C4'-P energy: -18.702 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -18.948 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -19.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -278.632832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.632832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.632832 (E_RNA) where: Base-Base interactions energy: -195.658 where: short stacking energy: -82.929 Base-Backbone interact. energy: -0.107 local terms energy: -82.868490 where: bonds (distance) C4'-P energy: -18.025 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -18.204 flat angles P-C4'-P energy: -10.997 tors. eta vs tors. theta energy: -20.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -278.784156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.784156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.784156 (E_RNA) where: Base-Base interactions energy: -197.705 where: short stacking energy: -89.933 Base-Backbone interact. energy: -0.117 local terms energy: -80.961762 where: bonds (distance) C4'-P energy: -16.993 bonds (distance) P-C4' energy: -16.581 flat angles C4'-P-C4' energy: -16.541 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -20.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -269.689128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.689128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.689128 (E_RNA) where: Base-Base interactions energy: -191.991 where: short stacking energy: -78.250 Base-Backbone interact. energy: -0.149 local terms energy: -77.548377 where: bonds (distance) C4'-P energy: -17.235 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -19.253 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -19.970 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: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -255.507569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.507569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.507569 (E_RNA) where: Base-Base interactions energy: -181.871 where: short stacking energy: -68.204 Base-Backbone interact. energy: -0.313 local terms energy: -73.323704 where: bonds (distance) C4'-P energy: -16.622 bonds (distance) P-C4' energy: -17.519 flat angles C4'-P-C4' energy: -17.784 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -14.698 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: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -237.520744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.520744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.520744 (E_RNA) where: Base-Base interactions energy: -163.873 where: short stacking energy: -68.999 Base-Backbone interact. energy: -0.101 local terms energy: -73.547478 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -15.369 flat angles C4'-P-C4' energy: -19.515 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -14.789 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: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -195.082028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.082028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.082028 (E_RNA) where: Base-Base interactions energy: -125.421 where: short stacking energy: -56.712 Base-Backbone interact. energy: -0.159 local terms energy: -69.501760 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -16.756 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -201.654195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.654195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.654195 (E_RNA) where: Base-Base interactions energy: -142.833 where: short stacking energy: -70.965 Base-Backbone interact. energy: -0.061 local terms energy: -58.759632 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -187.190009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.190009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.190009 (E_RNA) where: Base-Base interactions energy: -127.981 where: short stacking energy: -59.618 Base-Backbone interact. energy: -0.026 local terms energy: -59.182469 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -11.701 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: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -286.907332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.907332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.907332 (E_RNA) where: Base-Base interactions energy: -206.049 where: short stacking energy: -85.589 Base-Backbone interact. energy: -0.212 local terms energy: -80.646235 where: bonds (distance) C4'-P energy: -17.082 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -18.649 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -21.822 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: 294 Temperature: 0.950000 Total energy: -277.924506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.924506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.924506 (E_RNA) where: Base-Base interactions energy: -206.650 where: short stacking energy: -84.430 Base-Backbone interact. energy: -0.100 local terms energy: -71.175103 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -17.467 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -17.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -280.803350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.803350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.803350 (E_RNA) where: Base-Base interactions energy: -202.187 where: short stacking energy: -81.767 Base-Backbone interact. energy: -1.500 local terms energy: -77.116328 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -18.043 flat angles C4'-P-C4' energy: -16.502 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -21.062 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: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -269.478123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.478123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.478123 (E_RNA) where: Base-Base interactions energy: -187.890 where: short stacking energy: -74.856 Base-Backbone interact. energy: -0.606 local terms energy: -80.981926 where: bonds (distance) C4'-P energy: -17.602 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -16.570 flat angles P-C4'-P energy: -12.724 tors. eta vs tors. theta energy: -19.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -256.199485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.199485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.199485 (E_RNA) where: Base-Base interactions energy: -185.750 where: short stacking energy: -71.472 Base-Backbone interact. energy: -1.865 local terms energy: -68.584661 where: bonds (distance) C4'-P energy: -16.681 bonds (distance) P-C4' energy: -17.702 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -9.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -260.249479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.249479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.249479 (E_RNA) where: Base-Base interactions energy: -182.959 where: short stacking energy: -77.457 Base-Backbone interact. energy: -0.115 local terms energy: -77.175084 where: bonds (distance) C4'-P energy: -16.952 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: -17.106 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: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -233.084875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.084875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.084875 (E_RNA) where: Base-Base interactions energy: -162.968 where: short stacking energy: -66.396 Base-Backbone interact. energy: -0.388 local terms energy: -69.728753 where: bonds (distance) C4'-P energy: -18.182 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -14.377 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: 294 Temperature: 1.250000 Total energy: -196.484710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.484710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.484710 (E_RNA) where: Base-Base interactions energy: -137.285 where: short stacking energy: -66.543 Base-Backbone interact. energy: -0.160 local terms energy: -59.039702 where: bonds (distance) C4'-P energy: -18.220 bonds (distance) P-C4' energy: -16.032 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -188.694005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.694005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.694005 (E_RNA) where: Base-Base interactions energy: -132.713 where: short stacking energy: -58.836 Base-Backbone interact. energy: -0.029 local terms energy: -55.952827 where: bonds (distance) C4'-P energy: -16.944 bonds (distance) P-C4' energy: -7.933 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -7.090 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: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -190.992914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.992914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.992914 (E_RNA) where: Base-Base interactions energy: -134.657 where: short stacking energy: -45.941 Base-Backbone interact. energy: -0.367 local terms energy: -55.969041 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -15.558 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -11.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -284.705357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.705357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.705357 (E_RNA) where: Base-Base interactions energy: -200.223 where: short stacking energy: -87.317 Base-Backbone interact. energy: -0.476 local terms energy: -84.006575 where: bonds (distance) C4'-P energy: -16.361 bonds (distance) P-C4' energy: -18.647 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -12.615 tors. eta vs tors. theta energy: -19.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -282.587778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.587778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.587778 (E_RNA) where: Base-Base interactions energy: -210.737 where: short stacking energy: -86.990 Base-Backbone interact. energy: 5.022 local terms energy: -76.872121 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -17.171 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -12.811 tors. eta vs tors. theta energy: -22.583 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: 3, replica: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -277.814949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.814949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.814949 (E_RNA) where: Base-Base interactions energy: -194.454 where: short stacking energy: -82.560 Base-Backbone interact. energy: 0.767 local terms energy: -84.128158 where: bonds (distance) C4'-P energy: -18.948 bonds (distance) P-C4' energy: -16.222 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -13.149 tors. eta vs tors. theta energy: -21.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -275.342186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.342186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.342186 (E_RNA) where: Base-Base interactions energy: -198.094 where: short stacking energy: -85.124 Base-Backbone interact. energy: -0.344 local terms energy: -76.904620 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -16.560 flat angles P-C4'-P energy: -13.124 tors. eta vs tors. theta energy: -17.931 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: 5, replica: 5 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -258.394078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.394078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.394078 (E_RNA) where: Base-Base interactions energy: -185.619 where: short stacking energy: -70.365 Base-Backbone interact. energy: -0.185 local terms energy: -72.590239 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -18.201 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -16.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -263.612280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.612280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.612280 (E_RNA) where: Base-Base interactions energy: -184.404 where: short stacking energy: -78.195 Base-Backbone interact. energy: 1.033 local terms energy: -80.241331 where: bonds (distance) C4'-P energy: -14.936 bonds (distance) P-C4' energy: -17.239 flat angles C4'-P-C4' energy: -17.129 flat angles P-C4'-P energy: -11.009 tors. eta vs tors. theta energy: -19.929 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: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -228.618488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.618488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.618488 (E_RNA) where: Base-Base interactions energy: -161.115 where: short stacking energy: -66.320 Base-Backbone interact. energy: -0.373 local terms energy: -67.130650 where: bonds (distance) C4'-P energy: -15.230 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -18.429 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -12.566 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: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -199.660563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.660563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.660563 (E_RNA) where: Base-Base interactions energy: -133.120 where: short stacking energy: -54.865 Base-Backbone interact. energy: -0.170 local terms energy: -66.371074 where: bonds (distance) C4'-P energy: -16.042 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -8.873 flat angles P-C4'-P energy: -14.563 tors. eta vs tors. theta energy: -11.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -214.183874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.183874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.183874 (E_RNA) where: Base-Base interactions energy: -139.597 where: short stacking energy: -72.706 Base-Backbone interact. energy: 0.252 local terms energy: -74.839334 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -17.145 flat angles P-C4'-P energy: -12.644 tors. eta vs tors. theta energy: -20.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -146.647264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.647264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.647264 (E_RNA) where: Base-Base interactions energy: -96.756 where: short stacking energy: -35.564 Base-Backbone interact. energy: -1.098 local terms energy: -48.793989 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: 1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -287.792242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.792242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.792242 (E_RNA) where: Base-Base interactions energy: -202.619 where: short stacking energy: -85.730 Base-Backbone interact. energy: -0.211 local terms energy: -84.962225 where: bonds (distance) C4'-P energy: -19.652 bonds (distance) P-C4' energy: -18.805 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -20.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -283.263254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.263254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.263254 (E_RNA) where: Base-Base interactions energy: -208.348 where: short stacking energy: -86.799 Base-Backbone interact. energy: -0.081 local terms energy: -74.834223 where: bonds (distance) C4'-P energy: -17.835 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -20.150 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: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -276.957093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.957093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.957093 (E_RNA) where: Base-Base interactions energy: -206.147 where: short stacking energy: -86.633 Base-Backbone interact. energy: -0.336 local terms energy: -70.474073 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -17.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -271.639224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.639224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.639224 (E_RNA) where: Base-Base interactions energy: -200.089 where: short stacking energy: -82.434 Base-Backbone interact. energy: -0.498 local terms energy: -71.052406 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -13.728 flat angles C4'-P-C4' energy: -17.320 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -19.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -256.794326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.794326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.794326 (E_RNA) where: Base-Base interactions energy: -195.872 where: short stacking energy: -76.021 Base-Backbone interact. energy: 0.632 local terms energy: -61.554669 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -12.385 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: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -261.773118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.773118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.773118 (E_RNA) where: Base-Base interactions energy: -186.951 where: short stacking energy: -75.167 Base-Backbone interact. energy: -0.239 local terms energy: -74.583821 where: bonds (distance) C4'-P energy: -15.181 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -12.447 tors. eta vs tors. theta energy: -20.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -210.426361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.426361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.426361 (E_RNA) where: Base-Base interactions energy: -143.111 where: short stacking energy: -69.450 Base-Backbone interact. energy: -0.061 local terms energy: -67.253593 where: bonds (distance) C4'-P energy: -12.577 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -13.799 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: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -218.445483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.445483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.445483 (E_RNA) where: Base-Base interactions energy: -142.306 where: short stacking energy: -73.244 Base-Backbone interact. energy: -0.013 local terms energy: -76.126727 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -16.798 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -14.266 tors. eta vs tors. theta energy: -19.466 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: 296 Temperature: 1.300000 Total energy: -197.406020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.406020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.406020 (E_RNA) where: Base-Base interactions energy: -129.238 where: short stacking energy: -61.444 Base-Backbone interact. energy: 0.292 local terms energy: -68.460101 where: bonds (distance) C4'-P energy: -15.015 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -14.756 tors. eta vs tors. theta energy: -13.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -82.263484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.263484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.263484 (E_RNA) where: Base-Base interactions energy: -27.161 where: short stacking energy: -20.590 Base-Backbone interact. energy: -0.359 local terms energy: -54.743286 where: bonds (distance) C4'-P energy: -17.097 bonds (distance) P-C4' energy: -15.440 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -11.491 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: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -287.892665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.892665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.892665 (E_RNA) where: Base-Base interactions energy: -204.592 where: short stacking energy: -81.760 Base-Backbone interact. energy: -0.228 local terms energy: -83.072878 where: bonds (distance) C4'-P energy: -17.094 bonds (distance) P-C4' energy: -18.838 flat angles C4'-P-C4' energy: -16.374 flat angles P-C4'-P energy: -10.015 tors. eta vs tors. theta energy: -20.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -295.606943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.606943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.606943 (E_RNA) where: Base-Base interactions energy: -212.271 where: short stacking energy: -88.693 Base-Backbone interact. energy: -1.204 local terms energy: -82.132070 where: bonds (distance) C4'-P energy: -14.937 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -18.039 flat angles P-C4'-P energy: -10.430 tors. eta vs tors. theta energy: -21.807 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: 2 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -282.273421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.273421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.273421 (E_RNA) where: Base-Base interactions energy: -200.070 where: short stacking energy: -86.495 Base-Backbone interact. energy: -0.698 local terms energy: -81.505620 where: bonds (distance) C4'-P energy: -18.898 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -17.266 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -20.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -275.869331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.869331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.869331 (E_RNA) where: Base-Base interactions energy: -192.122 where: short stacking energy: -82.436 Base-Backbone interact. energy: -1.195 local terms energy: -82.552660 where: bonds (distance) C4'-P energy: -15.898 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -15.533 tors. eta vs tors. theta energy: -21.510 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: 5 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -266.210401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.210401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.210401 (E_RNA) where: Base-Base interactions energy: -198.012 where: short stacking energy: -75.320 Base-Backbone interact. energy: -0.144 local terms energy: -68.053965 where: bonds (distance) C4'-P energy: -16.749 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -12.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -268.061155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.061155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.061155 (E_RNA) where: Base-Base interactions energy: -203.114 where: short stacking energy: -77.561 Base-Backbone interact. energy: -0.461 local terms energy: -64.485539 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -8.486 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -11.479 tors. eta vs tors. theta energy: -14.397 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: 8 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -213.924505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.924505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.924505 (E_RNA) where: Base-Base interactions energy: -142.557 where: short stacking energy: -67.625 Base-Backbone interact. energy: -0.109 local terms energy: -71.258737 where: bonds (distance) C4'-P energy: -16.542 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -18.031 flat angles P-C4'-P energy: -12.466 tors. eta vs tors. theta energy: -10.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -215.665138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.665138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.665138 (E_RNA) where: Base-Base interactions energy: -141.386 where: short stacking energy: -71.555 Base-Backbone interact. energy: -0.012 local terms energy: -74.266701 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -14.979 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: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -210.690901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.690901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.690901 (E_RNA) where: Base-Base interactions energy: -141.052 where: short stacking energy: -69.175 Base-Backbone interact. energy: -0.007 local terms energy: -69.631782 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -16.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -117.823376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.823376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.823376 (E_RNA) where: Base-Base interactions energy: -57.671 where: short stacking energy: -37.701 Base-Backbone interact. energy: -0.145 local terms energy: -60.007327 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -7.714 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: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -287.956485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.956485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.956485 (E_RNA) where: Base-Base interactions energy: -202.716 where: short stacking energy: -83.402 Base-Backbone interact. energy: -0.101 local terms energy: -85.139260 where: bonds (distance) C4'-P energy: -16.497 bonds (distance) P-C4' energy: -18.209 flat angles C4'-P-C4' energy: -19.650 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -18.492 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: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -283.709785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.709785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.709785 (E_RNA) where: Base-Base interactions energy: -201.853 where: short stacking energy: -84.000 Base-Backbone interact. energy: -0.883 local terms energy: -80.973218 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -19.207 flat angles C4'-P-C4' energy: -18.420 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -20.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -281.985241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.985241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.985241 (E_RNA) where: Base-Base interactions energy: -195.681 where: short stacking energy: -87.324 Base-Backbone interact. energy: -1.607 local terms energy: -84.697611 where: bonds (distance) C4'-P energy: -16.295 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -18.931 flat angles P-C4'-P energy: -12.882 tors. eta vs tors. theta energy: -21.321 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: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -272.676279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.676279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.676279 (E_RNA) where: Base-Base interactions energy: -190.363 where: short stacking energy: -74.193 Base-Backbone interact. energy: -0.159 local terms energy: -82.153590 where: bonds (distance) C4'-P energy: -19.784 bonds (distance) P-C4' energy: -16.937 flat angles C4'-P-C4' energy: -16.866 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -18.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -266.982888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.982888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.982888 (E_RNA) where: Base-Base interactions energy: -195.094 where: short stacking energy: -86.737 Base-Backbone interact. energy: -0.049 local terms energy: -71.840832 where: bonds (distance) C4'-P energy: -8.494 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -17.949 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -19.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -258.351699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.351699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.351699 (E_RNA) where: Base-Base interactions energy: -182.310 where: short stacking energy: -78.217 Base-Backbone interact. energy: -0.745 local terms energy: -75.296853 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -9.726 flat angles C4'-P-C4' energy: -16.034 flat angles P-C4'-P energy: -12.723 tors. eta vs tors. theta energy: -22.428 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: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -222.044489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.044489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.044489 (E_RNA) where: Base-Base interactions energy: -145.668 where: short stacking energy: -71.679 Base-Backbone interact. energy: -0.181 local terms energy: -76.194753 where: bonds (distance) C4'-P energy: -14.411 bonds (distance) P-C4' energy: -19.647 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -16.344 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: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -211.347222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.347222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.347222 (E_RNA) where: Base-Base interactions energy: -140.768 where: short stacking energy: -66.023 Base-Backbone interact. energy: 0.013 local terms energy: -70.592730 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -18.669 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -11.671 tors. eta vs tors. theta energy: -13.429 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: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -190.954962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.954962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.954962 (E_RNA) where: Base-Base interactions energy: -132.087 where: short stacking energy: -50.297 Base-Backbone interact. energy: -0.122 local terms energy: -58.745929 where: bonds (distance) C4'-P energy: -10.242 bonds (distance) P-C4' energy: -18.777 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -4.868 tors. eta vs tors. theta energy: -9.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -111.806039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.806039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.806039 (E_RNA) where: Base-Base interactions energy: -63.727 where: short stacking energy: -39.676 Base-Backbone interact. energy: -0.338 local terms energy: -47.741078 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -5.295 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: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -287.874067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.874067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.874067 (E_RNA) where: Base-Base interactions energy: -213.521 where: short stacking energy: -88.881 Base-Backbone interact. energy: -0.659 local terms energy: -73.694100 where: bonds (distance) C4'-P energy: -10.280 bonds (distance) P-C4' energy: -17.111 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -13.817 tors. eta vs tors. theta energy: -16.625 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: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -279.290761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.290761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.290761 (E_RNA) where: Base-Base interactions energy: -202.164 where: short stacking energy: -83.153 Base-Backbone interact. energy: -0.045 local terms energy: -77.082230 where: bonds (distance) C4'-P energy: -14.584 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -17.552 flat angles P-C4'-P energy: -12.439 tors. eta vs tors. theta energy: -20.967 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: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -275.057536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.057536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.057536 (E_RNA) where: Base-Base interactions energy: -194.369 where: short stacking energy: -78.009 Base-Backbone interact. energy: -0.189 local terms energy: -80.499255 where: bonds (distance) C4'-P energy: -15.871 bonds (distance) P-C4' energy: -17.995 flat angles C4'-P-C4' energy: -15.771 flat angles P-C4'-P energy: -11.823 tors. eta vs tors. theta energy: -19.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -268.481382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.481382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.481382 (E_RNA) where: Base-Base interactions energy: -193.829 where: short stacking energy: -81.383 Base-Backbone interact. energy: 1.050 local terms energy: -75.701850 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -17.100 flat angles C4'-P-C4' energy: -19.193 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -16.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -274.878267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.878267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.878267 (E_RNA) where: Base-Base interactions energy: -197.693 where: short stacking energy: -84.486 Base-Backbone interact. energy: -0.378 local terms energy: -76.807533 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -17.027 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -21.930 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: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -265.797684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.797684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.797684 (E_RNA) where: Base-Base interactions energy: -188.898 where: short stacking energy: -79.951 Base-Backbone interact. energy: -0.972 local terms energy: -75.927508 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -14.394 flat angles C4'-P-C4' energy: -14.914 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -19.740 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: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -212.157812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.157812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.157812 (E_RNA) where: Base-Base interactions energy: -142.962 where: short stacking energy: -67.706 Base-Backbone interact. energy: -0.003 local terms energy: -69.192200 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -13.035 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -18.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -205.081864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.081864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.081864 (E_RNA) where: Base-Base interactions energy: -138.911 where: short stacking energy: -68.381 Base-Backbone interact. energy: -0.003 local terms energy: -66.168248 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -10.725 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -20.500 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: 299 Temperature: 1.300000 Total energy: -191.365233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.365233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.365233 (E_RNA) where: Base-Base interactions energy: -131.631 where: short stacking energy: -58.782 Base-Backbone interact. energy: -0.026 local terms energy: -59.708267 where: bonds (distance) C4'-P energy: -10.538 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -17.238 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -10.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -90.553114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.553114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.553114 (E_RNA) where: Base-Base interactions energy: -46.750 where: short stacking energy: -30.893 Base-Backbone interact. energy: 1.509 local terms energy: -45.312144 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -10.555 flat angles C4'-P-C4' energy: -9.405 flat angles P-C4'-P energy: -10.756 tors. eta vs tors. theta energy: 1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -289.745088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.745088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.745088 (E_RNA) where: Base-Base interactions energy: -203.278 where: short stacking energy: -87.464 Base-Backbone interact. energy: -0.481 local terms energy: -85.986114 where: bonds (distance) C4'-P energy: -19.404 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -17.045 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -21.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -280.558410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.558410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.558410 (E_RNA) where: Base-Base interactions energy: -201.582 where: short stacking energy: -83.250 Base-Backbone interact. energy: -0.235 local terms energy: -78.741885 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -17.910 flat angles C4'-P-C4' energy: -12.472 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -22.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -276.254918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.254918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.254918 (E_RNA) where: Base-Base interactions energy: -196.538 where: short stacking energy: -87.237 Base-Backbone interact. energy: -0.268 local terms energy: -79.449345 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -17.308 flat angles C4'-P-C4' energy: -17.090 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -17.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -273.434741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.434741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.434741 (E_RNA) where: Base-Base interactions energy: -200.685 where: short stacking energy: -74.505 Base-Backbone interact. energy: -0.815 local terms energy: -71.935174 where: bonds (distance) C4'-P energy: -15.231 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -18.763 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -14.797 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: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -274.455995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.455995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.455995 (E_RNA) where: Base-Base interactions energy: -192.926 where: short stacking energy: -71.757 Base-Backbone interact. energy: -0.215 local terms energy: -81.314597 where: bonds (distance) C4'-P energy: -18.265 bonds (distance) P-C4' energy: -18.569 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -12.345 tors. eta vs tors. theta energy: -17.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -266.998807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.998807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.998807 (E_RNA) where: Base-Base interactions energy: -193.160 where: short stacking energy: -81.427 Base-Backbone interact. energy: -0.101 local terms energy: -73.737718 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -15.155 flat angles C4'-P-C4' energy: -17.812 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -16.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -203.789092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.789092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.789092 (E_RNA) where: Base-Base interactions energy: -132.659 where: short stacking energy: -75.110 Base-Backbone interact. energy: -0.002 local terms energy: -71.128867 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -14.391 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -23.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -199.057981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.057981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.057981 (E_RNA) where: Base-Base interactions energy: -126.169 where: short stacking energy: -59.919 Base-Backbone interact. energy: 1.107 local terms energy: -73.996215 where: bonds (distance) C4'-P energy: -12.432 bonds (distance) P-C4' energy: -17.566 flat angles C4'-P-C4' energy: -17.639 flat angles P-C4'-P energy: -12.271 tors. eta vs tors. theta energy: -14.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -170.735167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.735167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.735167 (E_RNA) where: Base-Base interactions energy: -108.237 where: short stacking energy: -46.976 Base-Backbone interact. energy: -0.060 local terms energy: -62.438001 where: bonds (distance) C4'-P energy: -18.452 bonds (distance) P-C4' energy: -17.339 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -8.508 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -96.350311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.350311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.350311 (E_RNA) where: Base-Base interactions energy: -44.503 where: short stacking energy: -35.729 Base-Backbone interact. energy: -0.013 local terms energy: -51.834317 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -16.466 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -7.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -288.641391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.641391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.641391 (E_RNA) where: Base-Base interactions energy: -203.891 where: short stacking energy: -87.747 Base-Backbone interact. energy: -1.454 local terms energy: -83.295901 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -17.422 flat angles P-C4'-P energy: -13.805 tors. eta vs tors. theta energy: -20.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -280.371685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.371685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.371685 (E_RNA) where: Base-Base interactions energy: -204.769 where: short stacking energy: -82.874 Base-Backbone interact. energy: -1.144 local terms energy: -74.457910 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -11.038 tors. eta vs tors. theta energy: -20.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -277.472852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.472852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.472852 (E_RNA) where: Base-Base interactions energy: -191.129 where: short stacking energy: -81.879 Base-Backbone interact. energy: -0.556 local terms energy: -85.787797 where: bonds (distance) C4'-P energy: -17.185 bonds (distance) P-C4' energy: -17.526 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -13.373 tors. eta vs tors. theta energy: -21.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -273.537220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.537220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.537220 (E_RNA) where: Base-Base interactions energy: -196.014 where: short stacking energy: -77.538 Base-Backbone interact. energy: 0.374 local terms energy: -77.897369 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -16.069 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -11.691 tors. eta vs tors. theta energy: -21.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -275.671040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.671040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.671040 (E_RNA) where: Base-Base interactions energy: -186.944 where: short stacking energy: -83.499 Base-Backbone interact. energy: -0.049 local terms energy: -88.677953 where: bonds (distance) C4'-P energy: -18.632 bonds (distance) P-C4' energy: -16.766 flat angles C4'-P-C4' energy: -16.464 flat angles P-C4'-P energy: -14.685 tors. eta vs tors. theta energy: -22.131 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: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -272.132450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.132450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.132450 (E_RNA) where: Base-Base interactions energy: -194.413 where: short stacking energy: -86.210 Base-Backbone interact. energy: -0.572 local terms energy: -77.147721 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -15.783 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -13.500 tors. eta vs tors. theta energy: -24.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -205.722647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.722647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.722647 (E_RNA) where: Base-Base interactions energy: -141.759 where: short stacking energy: -69.108 Base-Backbone interact. energy: -0.160 local terms energy: -63.803325 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -16.934 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -17.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -197.026711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.026711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.026711 (E_RNA) where: Base-Base interactions energy: -132.992 where: short stacking energy: -61.369 Base-Backbone interact. energy: -0.101 local terms energy: -63.933482 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -14.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -161.631898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.631898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.631898 (E_RNA) where: Base-Base interactions energy: -97.259 where: short stacking energy: -54.047 Base-Backbone interact. energy: -0.183 local terms energy: -64.189763 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -13.398 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: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -110.933127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.933127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.933127 (E_RNA) where: Base-Base interactions energy: -55.938 where: short stacking energy: -25.864 Base-Backbone interact. energy: -0.437 local terms energy: -54.557661 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -1.381 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: 302 Temperature: 0.900000 Total energy: -288.316756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.316756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.316756 (E_RNA) where: Base-Base interactions energy: -203.227 where: short stacking energy: -88.847 Base-Backbone interact. energy: -0.822 local terms energy: -84.268043 where: bonds (distance) C4'-P energy: -17.218 bonds (distance) P-C4' energy: -18.576 flat angles C4'-P-C4' energy: -17.561 flat angles P-C4'-P energy: -11.408 tors. eta vs tors. theta energy: -19.505 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: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -283.279027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.279027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.279027 (E_RNA) where: Base-Base interactions energy: -200.328 where: short stacking energy: -81.287 Base-Backbone interact. energy: -0.872 local terms energy: -82.079164 where: bonds (distance) C4'-P energy: -18.816 bonds (distance) P-C4' energy: -18.747 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -19.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -279.417753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.417753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.417753 (E_RNA) where: Base-Base interactions energy: -196.037 where: short stacking energy: -80.438 Base-Backbone interact. energy: -1.473 local terms energy: -81.907903 where: bonds (distance) C4'-P energy: -17.482 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -17.537 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -18.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -263.943967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.943967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.943967 (E_RNA) where: Base-Base interactions energy: -189.729 where: short stacking energy: -78.452 Base-Backbone interact. energy: -1.187 local terms energy: -73.028594 where: bonds (distance) C4'-P energy: -15.577 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -10.876 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -269.215876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.215876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.215876 (E_RNA) where: Base-Base interactions energy: -191.666 where: short stacking energy: -74.494 Base-Backbone interact. energy: 0.154 local terms energy: -77.703540 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -16.347 flat angles P-C4'-P energy: -14.986 tors. eta vs tors. theta energy: -19.835 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: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -258.687603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.687603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.687603 (E_RNA) where: Base-Base interactions energy: -186.335 where: short stacking energy: -72.919 Base-Backbone interact. energy: 0.920 local terms energy: -73.272860 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -16.783 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: 302 Temperature: 1.200000 Total energy: -206.227129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.227129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.227129 (E_RNA) where: Base-Base interactions energy: -146.062 where: short stacking energy: -72.544 Base-Backbone interact. energy: -0.083 local terms energy: -60.081451 where: bonds (distance) C4'-P energy: -10.735 bonds (distance) P-C4' energy: -17.628 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -13.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -213.502451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.502451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.502451 (E_RNA) where: Base-Base interactions energy: -150.165 where: short stacking energy: -60.602 Base-Backbone interact. energy: 1.347 local terms energy: -64.683955 where: bonds (distance) C4'-P energy: -8.918 bonds (distance) P-C4' energy: -17.171 flat angles C4'-P-C4' energy: -16.473 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -17.715 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: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -191.384195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.384195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.384195 (E_RNA) where: Base-Base interactions energy: -128.722 where: short stacking energy: -61.710 Base-Backbone interact. energy: 0.148 local terms energy: -62.809874 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -10.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -100.606038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.606038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.606038 (E_RNA) where: Base-Base interactions energy: -37.774 where: short stacking energy: -36.188 Base-Backbone interact. energy: -0.585 local terms energy: -62.247744 where: bonds (distance) C4'-P energy: -17.555 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -16.679 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -287.270891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.270891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.270891 (E_RNA) where: Base-Base interactions energy: -199.785 where: short stacking energy: -85.663 Base-Backbone interact. energy: -0.054 local terms energy: -87.432148 where: bonds (distance) C4'-P energy: -17.838 bonds (distance) P-C4' energy: -18.830 flat angles C4'-P-C4' energy: -19.406 flat angles P-C4'-P energy: -14.239 tors. eta vs tors. theta energy: -17.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -283.489348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.489348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.489348 (E_RNA) where: Base-Base interactions energy: -199.233 where: short stacking energy: -88.471 Base-Backbone interact. energy: -0.091 local terms energy: -84.165541 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -19.049 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -13.311 tors. eta vs tors. theta energy: -21.391 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: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -276.743970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.743970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.743970 (E_RNA) where: Base-Base interactions energy: -200.559 where: short stacking energy: -82.365 Base-Backbone interact. energy: -0.346 local terms energy: -75.837991 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -17.882 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -259.966586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.966586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.966586 (E_RNA) where: Base-Base interactions energy: -180.487 where: short stacking energy: -72.027 Base-Backbone interact. energy: -0.588 local terms energy: -78.891291 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -17.569 flat angles P-C4'-P energy: -14.038 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -268.297970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.297970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.297970 (E_RNA) where: Base-Base interactions energy: -191.684 where: short stacking energy: -74.777 Base-Backbone interact. energy: -1.103 local terms energy: -75.510812 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -14.413 tors. eta vs tors. theta energy: -19.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -261.120193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.120193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.120193 (E_RNA) where: Base-Base interactions energy: -187.040 where: short stacking energy: -76.985 Base-Backbone interact. energy: 1.071 local terms energy: -75.151156 where: bonds (distance) C4'-P energy: -16.712 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -18.215 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: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -209.010404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.010404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.010404 (E_RNA) where: Base-Base interactions energy: -132.986 where: short stacking energy: -61.861 Base-Backbone interact. energy: -0.050 local terms energy: -75.974832 where: bonds (distance) C4'-P energy: -18.870 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -17.320 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -13.772 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: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -202.050387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.050387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.050387 (E_RNA) where: Base-Base interactions energy: -138.034 where: short stacking energy: -53.679 Base-Backbone interact. energy: -0.457 local terms energy: -63.559424 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -17.296 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -14.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -190.524086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.524086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.524086 (E_RNA) where: Base-Base interactions energy: -130.480 where: short stacking energy: -47.113 Base-Backbone interact. energy: 0.341 local terms energy: -60.384833 where: bonds (distance) C4'-P energy: -16.128 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -8.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -99.406946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.406946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.406946 (E_RNA) where: Base-Base interactions energy: -50.790 where: short stacking energy: -40.856 Base-Backbone interact. energy: -0.252 local terms energy: -48.364834 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -14.757 flat angles C4'-P-C4' energy: -9.109 flat angles P-C4'-P energy: -7.778 tors. eta vs tors. theta energy: -6.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -283.948596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.948596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.948596 (E_RNA) where: Base-Base interactions energy: -204.947 where: short stacking energy: -85.328 Base-Backbone interact. energy: -0.108 local terms energy: -78.893410 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -14.384 tors. eta vs tors. theta energy: -19.560 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: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -280.451073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.451073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.451073 (E_RNA) where: Base-Base interactions energy: -200.552 where: short stacking energy: -84.314 Base-Backbone interact. energy: -0.460 local terms energy: -79.438986 where: bonds (distance) C4'-P energy: -16.074 bonds (distance) P-C4' energy: -16.091 flat angles C4'-P-C4' energy: -17.695 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -19.369 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: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -282.080283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.080283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.080283 (E_RNA) where: Base-Base interactions energy: -203.915 where: short stacking energy: -83.425 Base-Backbone interact. energy: -0.869 local terms energy: -77.296743 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -15.805 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -22.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -270.058055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.058055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.058055 (E_RNA) where: Base-Base interactions energy: -197.529 where: short stacking energy: -81.221 Base-Backbone interact. energy: -0.664 local terms energy: -71.865083 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -273.136346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.136346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.136346 (E_RNA) where: Base-Base interactions energy: -193.961 where: short stacking energy: -75.481 Base-Backbone interact. energy: -0.563 local terms energy: -78.612672 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -13.661 tors. eta vs tors. theta energy: -19.338 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: 6, replica: 10 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -264.614868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.614868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.614868 (E_RNA) where: Base-Base interactions energy: -187.500 where: short stacking energy: -75.121 Base-Backbone interact. energy: 3.367 local terms energy: -80.481929 where: bonds (distance) C4'-P energy: -16.757 bonds (distance) P-C4' energy: -17.692 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -19.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -213.158007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.158007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.158007 (E_RNA) where: Base-Base interactions energy: -142.281 where: short stacking energy: -73.198 Base-Backbone interact. energy: -0.015 local terms energy: -70.862159 where: bonds (distance) C4'-P energy: -9.182 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -16.614 flat angles P-C4'-P energy: -11.765 tors. eta vs tors. theta energy: -16.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -204.630613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.630613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.630613 (E_RNA) where: Base-Base interactions energy: -138.705 where: short stacking energy: -62.398 Base-Backbone interact. energy: -0.092 local terms energy: -65.832935 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -17.030 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -15.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -197.060444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.060444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.060444 (E_RNA) where: Base-Base interactions energy: -126.711 where: short stacking energy: -59.840 Base-Backbone interact. energy: -0.185 local terms energy: -70.164372 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -18.070 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -12.501 tors. eta vs tors. theta energy: -12.354 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: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -110.146053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.146053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.146053 (E_RNA) where: Base-Base interactions energy: -66.795 where: short stacking energy: -29.743 Base-Backbone interact. energy: -0.030 local terms energy: -43.321674 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -2.349 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: 1, replica: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -286.560724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.560724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.560724 (E_RNA) where: Base-Base interactions energy: -206.483 where: short stacking energy: -86.366 Base-Backbone interact. energy: -0.793 local terms energy: -79.284494 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -12.254 tors. eta vs tors. theta energy: -20.053 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: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -278.788042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.788042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.788042 (E_RNA) where: Base-Base interactions energy: -197.522 where: short stacking energy: -83.472 Base-Backbone interact. energy: 0.422 local terms energy: -81.688229 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -17.952 flat angles C4'-P-C4' energy: -16.797 flat angles P-C4'-P energy: -12.336 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -270.107985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.107985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.107985 (E_RNA) where: Base-Base interactions energy: -191.992 where: short stacking energy: -83.150 Base-Backbone interact. energy: -0.102 local terms energy: -78.013246 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -18.483 flat angles C4'-P-C4' energy: -15.792 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -19.193 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: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -265.366518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.366518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.366518 (E_RNA) where: Base-Base interactions energy: -193.485 where: short stacking energy: -74.478 Base-Backbone interact. energy: -0.171 local terms energy: -71.710311 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -16.243 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -17.285 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: 5, replica: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -256.974272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.974272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.974272 (E_RNA) where: Base-Base interactions energy: -186.864 where: short stacking energy: -75.351 Base-Backbone interact. energy: -0.154 local terms energy: -69.956486 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -15.536 flat angles C4'-P-C4' energy: -15.054 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -16.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -221.671517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.671517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.671517 (E_RNA) where: Base-Base interactions energy: -144.222 where: short stacking energy: -73.913 Base-Backbone interact. energy: 0.542 local terms energy: -77.991822 where: bonds (distance) C4'-P energy: -17.325 bonds (distance) P-C4' energy: -17.614 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -17.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -263.775621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.775621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.775621 (E_RNA) where: Base-Base interactions energy: -197.087 where: short stacking energy: -80.398 Base-Backbone interact. energy: -0.310 local terms energy: -66.379421 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -16.631 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -13.913 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: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -207.935315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.935315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.935315 (E_RNA) where: Base-Base interactions energy: -141.744 where: short stacking energy: -54.588 Base-Backbone interact. energy: -0.337 local terms energy: -65.854668 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -19.028 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -9.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -213.966659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.966659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.966659 (E_RNA) where: Base-Base interactions energy: -158.236 where: short stacking energy: -57.914 Base-Backbone interact. energy: -1.083 local terms energy: -54.647306 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -17.003 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -7.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -91.061435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.061435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.061435 (E_RNA) where: Base-Base interactions energy: -33.101 where: short stacking energy: -31.388 Base-Backbone interact. energy: -0.117 local terms energy: -57.843983 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -16.428 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -5.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -284.714213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.714213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.714213 (E_RNA) where: Base-Base interactions energy: -204.989 where: short stacking energy: -87.888 Base-Backbone interact. energy: -0.945 local terms energy: -78.779995 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -17.077 flat angles P-C4'-P energy: -13.352 tors. eta vs tors. theta energy: -18.868 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: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -281.421012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.421012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.421012 (E_RNA) where: Base-Base interactions energy: -205.606 where: short stacking energy: -85.806 Base-Backbone interact. energy: 0.585 local terms energy: -76.399264 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -16.927 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -21.001 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: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -274.244544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.244544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.244544 (E_RNA) where: Base-Base interactions energy: -186.659 where: short stacking energy: -81.977 Base-Backbone interact. energy: 0.532 local terms energy: -88.117697 where: bonds (distance) C4'-P energy: -17.110 bonds (distance) P-C4' energy: -17.108 flat angles C4'-P-C4' energy: -18.630 flat angles P-C4'-P energy: -13.500 tors. eta vs tors. theta energy: -21.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -276.972081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.972081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.972081 (E_RNA) where: Base-Base interactions energy: -198.823 where: short stacking energy: -87.161 Base-Backbone interact. energy: -0.224 local terms energy: -77.925605 where: bonds (distance) C4'-P energy: -16.940 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -13.056 tors. eta vs tors. theta energy: -20.916 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: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -267.822608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.822608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.822608 (E_RNA) where: Base-Base interactions energy: -194.368 where: short stacking energy: -77.667 Base-Backbone interact. energy: -0.253 local terms energy: -73.201470 where: bonds (distance) C4'-P energy: -12.063 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -16.554 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -18.134 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: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -215.883718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.883718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.883718 (E_RNA) where: Base-Base interactions energy: -146.613 where: short stacking energy: -68.470 Base-Backbone interact. energy: -0.122 local terms energy: -69.149123 where: bonds (distance) C4'-P energy: -14.824 bonds (distance) P-C4' energy: -18.147 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -12.327 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: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -261.160086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.160086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.160086 (E_RNA) where: Base-Base interactions energy: -187.492 where: short stacking energy: -81.773 Base-Backbone interact. energy: 0.016 local terms energy: -73.684372 where: bonds (distance) C4'-P energy: -12.323 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -18.756 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -19.861 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: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -205.761575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.761575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.761575 (E_RNA) where: Base-Base interactions energy: -134.583 where: short stacking energy: -61.886 Base-Backbone interact. energy: 0.047 local terms energy: -71.225316 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -14.657 flat angles C4'-P-C4' energy: -18.839 flat angles P-C4'-P energy: -11.374 tors. eta vs tors. theta energy: -15.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -234.646037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.646037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.646037 (E_RNA) where: Base-Base interactions energy: -172.829 where: short stacking energy: -73.240 Base-Backbone interact. energy: 0.248 local terms energy: -62.064875 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -17.387 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -13.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -122.673222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.673222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.673222 (E_RNA) where: Base-Base interactions energy: -64.588 where: short stacking energy: -37.917 Base-Backbone interact. energy: -0.093 local terms energy: -57.992770 where: bonds (distance) C4'-P energy: -16.335 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -16.837 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -288.824478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.824478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.824478 (E_RNA) where: Base-Base interactions energy: -209.521 where: short stacking energy: -85.860 Base-Backbone interact. energy: 0.436 local terms energy: -79.739482 where: bonds (distance) C4'-P energy: -16.696 bonds (distance) P-C4' energy: -16.124 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -13.823 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -279.210849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.210849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.210849 (E_RNA) where: Base-Base interactions energy: -198.584 where: short stacking energy: -79.091 Base-Backbone interact. energy: -1.013 local terms energy: -79.613336 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -19.964 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -12.433 tors. eta vs tors. theta energy: -18.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -277.346267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.346267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.346267 (E_RNA) where: Base-Base interactions energy: -198.112 where: short stacking energy: -82.953 Base-Backbone interact. energy: -1.314 local terms energy: -77.920703 where: bonds (distance) C4'-P energy: -17.325 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -19.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -272.079086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.079086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.079086 (E_RNA) where: Base-Base interactions energy: -196.079 where: short stacking energy: -81.338 Base-Backbone interact. energy: 1.379 local terms energy: -77.379269 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -13.744 tors. eta vs tors. theta energy: -18.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -264.382180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.382180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.382180 (E_RNA) where: Base-Base interactions energy: -194.650 where: short stacking energy: -75.948 Base-Backbone interact. energy: -1.582 local terms energy: -68.150371 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -16.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -256.709634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.709634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.709634 (E_RNA) where: Base-Base interactions energy: -187.713 where: short stacking energy: -77.372 Base-Backbone interact. energy: -0.169 local terms energy: -68.827681 where: bonds (distance) C4'-P energy: -16.151 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -17.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -229.940382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.940382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.940382 (E_RNA) where: Base-Base interactions energy: -154.560 where: short stacking energy: -61.599 Base-Backbone interact. energy: -1.966 local terms energy: -73.414478 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -18.454 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -17.514 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: 9 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -204.491861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.491861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.491861 (E_RNA) where: Base-Base interactions energy: -147.448 where: short stacking energy: -59.895 Base-Backbone interact. energy: -0.057 local terms energy: -56.986825 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -11.948 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -198.503182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.503182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.503182 (E_RNA) where: Base-Base interactions energy: -127.974 where: short stacking energy: -58.584 Base-Backbone interact. energy: -0.016 local terms energy: -70.512362 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -19.483 flat angles C4'-P-C4' energy: -16.290 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -13.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -100.908110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.908110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.908110 (E_RNA) where: Base-Base interactions energy: -49.571 where: short stacking energy: -23.113 Base-Backbone interact. energy: -0.326 local terms energy: -51.011418 where: bonds (distance) C4'-P energy: -15.728 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -285.230250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.230250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.230250 (E_RNA) where: Base-Base interactions energy: -196.760 where: short stacking energy: -79.252 Base-Backbone interact. energy: -1.683 local terms energy: -86.787140 where: bonds (distance) C4'-P energy: -16.914 bonds (distance) P-C4' energy: -16.305 flat angles C4'-P-C4' energy: -17.676 flat angles P-C4'-P energy: -15.109 tors. eta vs tors. theta energy: -20.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -284.450864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.450864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.450864 (E_RNA) where: Base-Base interactions energy: -201.008 where: short stacking energy: -77.751 Base-Backbone interact. energy: -1.596 local terms energy: -81.846547 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -18.103 flat angles P-C4'-P energy: -14.045 tors. eta vs tors. theta energy: -20.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -267.722926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.722926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.722926 (E_RNA) where: Base-Base interactions energy: -196.009 where: short stacking energy: -81.872 Base-Backbone interact. energy: 0.927 local terms energy: -72.641433 where: bonds (distance) C4'-P energy: -10.742 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -17.388 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -22.946 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: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -273.185703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.185703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.185703 (E_RNA) where: Base-Base interactions energy: -196.686 where: short stacking energy: -79.956 Base-Backbone interact. energy: -0.278 local terms energy: -76.221419 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -17.060 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -9.047 tors. eta vs tors. theta energy: -20.086 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: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -264.307175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.307175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.307175 (E_RNA) where: Base-Base interactions energy: -183.048 where: short stacking energy: -81.567 Base-Backbone interact. energy: -0.625 local terms energy: -80.633201 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -14.046 flat angles C4'-P-C4' energy: -17.547 flat angles P-C4'-P energy: -13.571 tors. eta vs tors. theta energy: -19.805 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: 308 Temperature: 1.150000 Total energy: -264.639311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.639311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.639311 (E_RNA) where: Base-Base interactions energy: -183.206 where: short stacking energy: -77.047 Base-Backbone interact. energy: -0.081 local terms energy: -81.351996 where: bonds (distance) C4'-P energy: -15.036 bonds (distance) P-C4' energy: -17.487 flat angles C4'-P-C4' energy: -17.833 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -20.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -238.241017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.241017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.241017 (E_RNA) where: Base-Base interactions energy: -168.831 where: short stacking energy: -65.492 Base-Backbone interact. energy: -0.795 local terms energy: -68.615504 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -16.141 flat angles C4'-P-C4' energy: -16.560 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -13.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -218.799063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.799063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.799063 (E_RNA) where: Base-Base interactions energy: -151.633 where: short stacking energy: -61.318 Base-Backbone interact. energy: 0.016 local terms energy: -67.181966 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -19.007 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -10.696 tors. eta vs tors. theta energy: -13.632 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: 8 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -195.628254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.628254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.628254 (E_RNA) where: Base-Base interactions energy: -141.721 where: short stacking energy: -69.100 Base-Backbone interact. energy: 1.701 local terms energy: -55.607562 where: bonds (distance) C4'-P energy: -14.784 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -9.174 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: 3 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -87.106127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.106127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.106127 (E_RNA) where: Base-Base interactions energy: -40.071 where: short stacking energy: -33.213 Base-Backbone interact. energy: -0.637 local terms energy: -46.398019 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -15.282 flat angles C4'-P-C4' energy: -10.830 flat angles P-C4'-P energy: -5.911 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: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -286.011829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.011829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.011829 (E_RNA) where: Base-Base interactions energy: -203.961 where: short stacking energy: -86.945 Base-Backbone interact. energy: -0.484 local terms energy: -81.567457 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -17.022 flat angles C4'-P-C4' energy: -16.684 flat angles P-C4'-P energy: -10.664 tors. eta vs tors. theta energy: -22.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -286.911235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.911235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.911235 (E_RNA) where: Base-Base interactions energy: -205.184 where: short stacking energy: -88.722 Base-Backbone interact. energy: -0.073 local terms energy: -81.654759 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -19.578 flat angles C4'-P-C4' energy: -18.887 flat angles P-C4'-P energy: -10.888 tors. eta vs tors. theta energy: -18.677 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: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -275.824789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.824789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.824789 (E_RNA) where: Base-Base interactions energy: -197.689 where: short stacking energy: -82.242 Base-Backbone interact. energy: -0.460 local terms energy: -77.676174 where: bonds (distance) C4'-P energy: -16.461 bonds (distance) P-C4' energy: -19.056 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -19.346 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: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -274.977420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.977420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.977420 (E_RNA) where: Base-Base interactions energy: -202.364 where: short stacking energy: -81.047 Base-Backbone interact. energy: -0.197 local terms energy: -72.415624 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -17.894 flat angles P-C4'-P energy: -12.994 tors. eta vs tors. theta energy: -14.762 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: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -272.054320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.054320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.054320 (E_RNA) where: Base-Base interactions energy: -204.301 where: short stacking energy: -93.556 Base-Backbone interact. energy: 1.991 local terms energy: -69.744691 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -22.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -247.798041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -247.798041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -247.798041 (E_RNA) where: Base-Base interactions energy: -178.475 where: short stacking energy: -71.140 Base-Backbone interact. energy: -0.834 local terms energy: -68.488962 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -17.011 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -15.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -262.172120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.172120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.172120 (E_RNA) where: Base-Base interactions energy: -186.041 where: short stacking energy: -77.654 Base-Backbone interact. energy: -0.150 local terms energy: -75.981413 where: bonds (distance) C4'-P energy: -16.236 bonds (distance) P-C4' energy: -18.055 flat angles C4'-P-C4' energy: -18.385 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -16.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -207.597862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.597862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.597862 (E_RNA) where: Base-Base interactions energy: -138.375 where: short stacking energy: -63.885 Base-Backbone interact. energy: -0.186 local terms energy: -69.036289 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -12.678 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: 309 Temperature: 1.300000 Total energy: -201.663194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.663194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.663194 (E_RNA) where: Base-Base interactions energy: -136.372 where: short stacking energy: -47.350 Base-Backbone interact. energy: -0.830 local terms energy: -64.461209 where: bonds (distance) C4'-P energy: -17.317 bonds (distance) P-C4' energy: -15.126 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -12.110 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: 3 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -149.385985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.385985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.385985 (E_RNA) where: Base-Base interactions energy: -85.256 where: short stacking energy: -49.496 Base-Backbone interact. energy: -0.002 local terms energy: -64.128227 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -18.700 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -3.682 tors. eta vs tors. theta energy: -12.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -285.255682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.255682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.255682 (E_RNA) where: Base-Base interactions energy: -202.039 where: short stacking energy: -86.782 Base-Backbone interact. energy: -0.204 local terms energy: -83.012167 where: bonds (distance) C4'-P energy: -14.989 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -12.963 tors. eta vs tors. theta energy: -20.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -289.968832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.968832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.968832 (E_RNA) where: Base-Base interactions energy: -202.512 where: short stacking energy: -86.096 Base-Backbone interact. energy: -0.752 local terms energy: -86.704723 where: bonds (distance) C4'-P energy: -17.335 bonds (distance) P-C4' energy: -17.653 flat angles C4'-P-C4' energy: -15.877 flat angles P-C4'-P energy: -15.556 tors. eta vs tors. theta energy: -20.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -270.624081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.624081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.624081 (E_RNA) where: Base-Base interactions energy: -195.314 where: short stacking energy: -79.179 Base-Backbone interact. energy: -0.097 local terms energy: -75.212856 where: bonds (distance) C4'-P energy: -16.969 bonds (distance) P-C4' energy: -20.455 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -14.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -278.182863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.182863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.182863 (E_RNA) where: Base-Base interactions energy: -196.902 where: short stacking energy: -83.876 Base-Backbone interact. energy: -1.118 local terms energy: -80.162216 where: bonds (distance) C4'-P energy: -15.956 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -17.116 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -22.480 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: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -241.586540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.586540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.586540 (E_RNA) where: Base-Base interactions energy: -170.128 where: short stacking energy: -70.602 Base-Backbone interact. energy: -0.258 local terms energy: -71.199960 where: bonds (distance) C4'-P energy: -18.397 bonds (distance) P-C4' energy: -12.822 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -15.902 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: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -265.887696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.887696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.887696 (E_RNA) where: Base-Base interactions energy: -186.882 where: short stacking energy: -72.663 Base-Backbone interact. energy: -0.811 local terms energy: -78.194828 where: bonds (distance) C4'-P energy: -19.449 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -16.941 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -19.745 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: 8 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -208.225626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.225626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.225626 (E_RNA) where: Base-Base interactions energy: -148.951 where: short stacking energy: -73.722 Base-Backbone interact. energy: -0.194 local terms energy: -59.080703 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -8.610 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -17.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -255.318991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.318991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.318991 (E_RNA) where: Base-Base interactions energy: -187.442 where: short stacking energy: -76.238 Base-Backbone interact. energy: -0.132 local terms energy: -67.744797 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -11.432 flat angles C4'-P-C4' energy: -17.909 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -151.245739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.245739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.245739 (E_RNA) where: Base-Base interactions energy: -92.506 where: short stacking energy: -60.524 Base-Backbone interact. energy: -0.027 local terms energy: -58.712383 where: bonds (distance) C4'-P energy: -15.592 bonds (distance) P-C4' energy: -8.565 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -13.387 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: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -201.217279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.217279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.217279 (E_RNA) where: Base-Base interactions energy: -134.867 where: short stacking energy: -59.374 Base-Backbone interact. energy: 0.221 local terms energy: -66.570757 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -14.894 flat angles P-C4'-P energy: -12.539 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -282.640587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.640587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.640587 (E_RNA) where: Base-Base interactions energy: -201.843 where: short stacking energy: -85.207 Base-Backbone interact. energy: -0.251 local terms energy: -80.546513 where: bonds (distance) C4'-P energy: -17.110 bonds (distance) P-C4' energy: -18.464 flat angles C4'-P-C4' energy: -16.236 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -19.770 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: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -282.656774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.656774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.656774 (E_RNA) where: Base-Base interactions energy: -206.766 where: short stacking energy: -87.220 Base-Backbone interact. energy: 0.505 local terms energy: -76.395760 where: bonds (distance) C4'-P energy: -16.240 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -21.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -277.242958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.242958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.242958 (E_RNA) where: Base-Base interactions energy: -197.082 where: short stacking energy: -82.552 Base-Backbone interact. energy: -0.302 local terms energy: -79.859120 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -17.012 flat angles P-C4'-P energy: -13.400 tors. eta vs tors. theta energy: -20.954 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: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -273.574522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.574522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.574522 (E_RNA) where: Base-Base interactions energy: -190.011 where: short stacking energy: -82.832 Base-Backbone interact. energy: -0.260 local terms energy: -83.303238 where: bonds (distance) C4'-P energy: -17.467 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -19.457 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -22.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -249.312464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.312464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.312464 (E_RNA) where: Base-Base interactions energy: -172.775 where: short stacking energy: -72.043 Base-Backbone interact. energy: -0.147 local terms energy: -76.390310 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -16.927 flat angles C4'-P-C4' energy: -15.475 flat angles P-C4'-P energy: -12.936 tors. eta vs tors. theta energy: -16.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -259.084623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.084623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.084623 (E_RNA) where: Base-Base interactions energy: -184.218 where: short stacking energy: -77.310 Base-Backbone interact. energy: -0.743 local terms energy: -74.124301 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -13.587 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -20.343 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: 311 Temperature: 1.200000 Total energy: -221.296089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.296089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.296089 (E_RNA) where: Base-Base interactions energy: -151.328 where: short stacking energy: -72.519 Base-Backbone interact. energy: -0.068 local terms energy: -69.900012 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -15.422 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -13.239 tors. eta vs tors. theta energy: -15.208 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: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -265.673045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.673045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.673045 (E_RNA) where: Base-Base interactions energy: -191.466 where: short stacking energy: -80.949 Base-Backbone interact. energy: 0.663 local terms energy: -74.869328 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -11.277 tors. eta vs tors. theta energy: -19.404 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: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -198.980828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.980828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.980828 (E_RNA) where: Base-Base interactions energy: -136.875 where: short stacking energy: -74.658 Base-Backbone interact. energy: 0.954 local terms energy: -63.060053 where: bonds (distance) C4'-P energy: -8.498 bonds (distance) P-C4' energy: -13.111 flat angles C4'-P-C4' energy: -17.145 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -99.049653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.049653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.049653 (E_RNA) where: Base-Base interactions energy: -41.300 where: short stacking energy: -34.048 Base-Backbone interact. energy: -0.230 local terms energy: -57.519763 where: bonds (distance) C4'-P energy: -15.939 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -284.121759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.121759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.121759 (E_RNA) where: Base-Base interactions energy: -205.080 where: short stacking energy: -89.017 Base-Backbone interact. energy: -0.111 local terms energy: -78.930242 where: bonds (distance) C4'-P energy: -14.844 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -18.066 flat angles P-C4'-P energy: -12.179 tors. eta vs tors. theta energy: -21.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -282.392052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.392052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.392052 (E_RNA) where: Base-Base interactions energy: -203.178 where: short stacking energy: -87.127 Base-Backbone interact. energy: -0.873 local terms energy: -78.341063 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -19.073 flat angles C4'-P-C4' energy: -17.846 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -17.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -280.325875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.325875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.325875 (E_RNA) where: Base-Base interactions energy: -198.830 where: short stacking energy: -86.111 Base-Backbone interact. energy: -1.721 local terms energy: -79.775077 where: bonds (distance) C4'-P energy: -17.553 bonds (distance) P-C4' energy: -18.572 flat angles C4'-P-C4' energy: -18.028 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -19.065 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: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -271.456167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.456167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.456167 (E_RNA) where: Base-Base interactions energy: -192.547 where: short stacking energy: -83.909 Base-Backbone interact. energy: -1.142 local terms energy: -77.766807 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -18.161 flat angles C4'-P-C4' energy: -10.727 flat angles P-C4'-P energy: -14.059 tors. eta vs tors. theta energy: -18.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -270.372176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.372176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.372176 (E_RNA) where: Base-Base interactions energy: -194.727 where: short stacking energy: -79.342 Base-Backbone interact. energy: 2.649 local terms energy: -78.294041 where: bonds (distance) C4'-P energy: -15.826 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -17.188 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -18.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -232.794459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.794459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.794459 (E_RNA) where: Base-Base interactions energy: -157.835 where: short stacking energy: -71.106 Base-Backbone interact. energy: -0.041 local terms energy: -74.918082 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -17.913 flat angles C4'-P-C4' energy: -17.714 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -15.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -253.889368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.889368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.889368 (E_RNA) where: Base-Base interactions energy: -182.447 where: short stacking energy: -72.917 Base-Backbone interact. energy: 0.596 local terms energy: -72.038337 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -206.438019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.438019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.438019 (E_RNA) where: Base-Base interactions energy: -132.320 where: short stacking energy: -69.418 Base-Backbone interact. energy: -0.144 local terms energy: -73.974271 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -17.686 flat angles C4'-P-C4' energy: -17.563 flat angles P-C4'-P energy: -12.291 tors. eta vs tors. theta energy: -13.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -194.758159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.758159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.758159 (E_RNA) where: Base-Base interactions energy: -129.822 where: short stacking energy: -64.974 Base-Backbone interact. energy: -0.403 local terms energy: -64.532693 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -14.920 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: 10, replica: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -118.331012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.331012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.331012 (E_RNA) where: Base-Base interactions energy: -74.958 where: short stacking energy: -42.758 Base-Backbone interact. energy: -0.343 local terms energy: -43.030078 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -17.378 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -282.256790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.256790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.256790 (E_RNA) where: Base-Base interactions energy: -198.725 where: short stacking energy: -83.341 Base-Backbone interact. energy: -0.916 local terms energy: -82.615532 where: bonds (distance) C4'-P energy: -17.358 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -17.189 flat angles P-C4'-P energy: -13.058 tors. eta vs tors. theta energy: -18.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -281.030885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.030885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.030885 (E_RNA) where: Base-Base interactions energy: -196.630 where: short stacking energy: -86.454 Base-Backbone interact. energy: 0.577 local terms energy: -84.977821 where: bonds (distance) C4'-P energy: -16.349 bonds (distance) P-C4' energy: -19.070 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -11.380 tors. eta vs tors. theta energy: -23.248 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: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -284.218923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.218923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.218923 (E_RNA) where: Base-Base interactions energy: -202.948 where: short stacking energy: -80.632 Base-Backbone interact. energy: -0.214 local terms energy: -81.057692 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -16.748 flat angles C4'-P-C4' energy: -17.220 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -20.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -272.737078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.737078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.737078 (E_RNA) where: Base-Base interactions energy: -198.284 where: short stacking energy: -85.747 Base-Backbone interact. energy: -0.863 local terms energy: -73.589958 where: bonds (distance) C4'-P energy: -17.909 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -20.020 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: 313 Temperature: 1.100000 Total energy: -261.221531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.221531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.221531 (E_RNA) where: Base-Base interactions energy: -183.131 where: short stacking energy: -76.080 Base-Backbone interact. energy: -0.625 local terms energy: -77.464754 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -18.113 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -18.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -266.311396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.311396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.311396 (E_RNA) where: Base-Base interactions energy: -189.086 where: short stacking energy: -83.818 Base-Backbone interact. energy: 0.281 local terms energy: -77.505535 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -15.218 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -18.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -213.672272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.672272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.672272 (E_RNA) where: Base-Base interactions energy: -138.964 where: short stacking energy: -68.664 Base-Backbone interact. energy: 0.137 local terms energy: -74.846135 where: bonds (distance) C4'-P energy: -16.862 bonds (distance) P-C4' energy: -16.691 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -14.672 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: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -211.801652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.801652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.801652 (E_RNA) where: Base-Base interactions energy: -144.178 where: short stacking energy: -69.552 Base-Backbone interact. energy: -0.005 local terms energy: -67.618911 where: bonds (distance) C4'-P energy: -9.265 bonds (distance) P-C4' energy: -16.646 flat angles C4'-P-C4' energy: -17.181 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -16.279 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: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -209.067110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.067110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.067110 (E_RNA) where: Base-Base interactions energy: -139.934 where: short stacking energy: -70.821 Base-Backbone interact. energy: -0.004 local terms energy: -69.129477 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -18.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -92.878180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.878180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.878180 (E_RNA) where: Base-Base interactions energy: -42.823 where: short stacking energy: -28.069 Base-Backbone interact. energy: 6.387 local terms energy: -56.442410 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -283.122346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.122346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.122346 (E_RNA) where: Base-Base interactions energy: -203.636 where: short stacking energy: -82.404 Base-Backbone interact. energy: -1.378 local terms energy: -78.108736 where: bonds (distance) C4'-P energy: -17.202 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -16.864 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -21.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -282.233363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.233363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.233363 (E_RNA) where: Base-Base interactions energy: -199.250 where: short stacking energy: -83.872 Base-Backbone interact. energy: -0.350 local terms energy: -82.632861 where: bonds (distance) C4'-P energy: -16.183 bonds (distance) P-C4' energy: -15.086 flat angles C4'-P-C4' energy: -19.020 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -21.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -272.272708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.272708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.272708 (E_RNA) where: Base-Base interactions energy: -198.801 where: short stacking energy: -87.294 Base-Backbone interact. energy: 1.284 local terms energy: -74.756239 where: bonds (distance) C4'-P energy: -16.948 bonds (distance) P-C4' energy: -16.173 flat angles C4'-P-C4' energy: -16.866 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -16.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -275.792062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.792062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.792062 (E_RNA) where: Base-Base interactions energy: -195.213 where: short stacking energy: -75.702 Base-Backbone interact. energy: -0.160 local terms energy: -80.418723 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -19.602 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -16.323 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: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -273.423549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.423549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.423549 (E_RNA) where: Base-Base interactions energy: -195.717 where: short stacking energy: -88.462 Base-Backbone interact. energy: -0.161 local terms energy: -77.545023 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -16.577 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -21.690 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: 10 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -262.184491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.184491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.184491 (E_RNA) where: Base-Base interactions energy: -179.253 where: short stacking energy: -77.062 Base-Backbone interact. energy: -0.113 local terms energy: -82.818182 where: bonds (distance) C4'-P energy: -17.818 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -17.494 flat angles P-C4'-P energy: -9.267 tors. eta vs tors. theta energy: -20.860 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: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -222.083958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.083958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.083958 (E_RNA) where: Base-Base interactions energy: -152.019 where: short stacking energy: -81.126 Base-Backbone interact. energy: -0.030 local terms energy: -70.034380 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -16.977 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -19.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -214.496355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.496355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.496355 (E_RNA) where: Base-Base interactions energy: -149.505 where: short stacking energy: -68.954 Base-Backbone interact. energy: -0.003 local terms energy: -64.988275 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -11.150 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -7.588 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -205.850485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.850485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.850485 (E_RNA) where: Base-Base interactions energy: -146.779 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.575 local terms energy: -58.496329 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -99.027364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.027364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.027364 (E_RNA) where: Base-Base interactions energy: -37.119 where: short stacking energy: -37.119 Base-Backbone interact. energy: 0.246 local terms energy: -62.154391 where: bonds (distance) C4'-P energy: -15.759 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -9.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -284.071331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.071331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.071331 (E_RNA) where: Base-Base interactions energy: -200.928 where: short stacking energy: -84.004 Base-Backbone interact. energy: -0.212 local terms energy: -82.931560 where: bonds (distance) C4'-P energy: -15.587 bonds (distance) P-C4' energy: -17.454 flat angles C4'-P-C4' energy: -18.081 flat angles P-C4'-P energy: -12.214 tors. eta vs tors. theta energy: -19.595 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: 6 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -282.990694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.990694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.990694 (E_RNA) where: Base-Base interactions energy: -201.855 where: short stacking energy: -88.958 Base-Backbone interact. energy: -0.045 local terms energy: -81.090518 where: bonds (distance) C4'-P energy: -17.981 bonds (distance) P-C4' energy: -16.949 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -12.013 tors. eta vs tors. theta energy: -18.522 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: 315 Temperature: 1.000000 Total energy: -278.240553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.240553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.240553 (E_RNA) where: Base-Base interactions energy: -198.400 where: short stacking energy: -79.659 Base-Backbone interact. energy: -0.322 local terms energy: -79.517871 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -18.725 flat angles C4'-P-C4' energy: -17.007 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -16.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -271.214198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.214198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.214198 (E_RNA) where: Base-Base interactions energy: -199.548 where: short stacking energy: -75.430 Base-Backbone interact. energy: -0.505 local terms energy: -71.161186 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -20.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -272.623058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.623058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.623058 (E_RNA) where: Base-Base interactions energy: -190.662 where: short stacking energy: -77.726 Base-Backbone interact. energy: -0.898 local terms energy: -81.063303 where: bonds (distance) C4'-P energy: -15.524 bonds (distance) P-C4' energy: -17.970 flat angles C4'-P-C4' energy: -19.737 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -259.316642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.316642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.316642 (E_RNA) where: Base-Base interactions energy: -180.991 where: short stacking energy: -73.023 Base-Backbone interact. energy: -0.429 local terms energy: -77.896881 where: bonds (distance) C4'-P energy: -17.781 bonds (distance) P-C4' energy: -16.634 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -9.958 tors. eta vs tors. theta energy: -17.004 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: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -210.924525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.924525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.924525 (E_RNA) where: Base-Base interactions energy: -142.213 where: short stacking energy: -68.253 Base-Backbone interact. energy: 0.340 local terms energy: -69.051112 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -18.982 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -216.783479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.783479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.783479 (E_RNA) where: Base-Base interactions energy: -137.450 where: short stacking energy: -61.397 Base-Backbone interact. energy: -0.296 local terms energy: -79.037894 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -16.617 flat angles P-C4'-P energy: -13.994 tors. eta vs tors. theta energy: -18.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -196.583612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.583612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.583612 (E_RNA) where: Base-Base interactions energy: -129.358 where: short stacking energy: -63.168 Base-Backbone interact. energy: 3.348 local terms energy: -70.573266 where: bonds (distance) C4'-P energy: -15.852 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -13.087 tors. eta vs tors. theta energy: -12.097 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: 315 Temperature: 1.350000 Total energy: -89.010642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.010642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.010642 (E_RNA) where: Base-Base interactions energy: -42.301 where: short stacking energy: -37.073 Base-Backbone interact. energy: 1.575 local terms energy: -48.284653 where: bonds (distance) C4'-P energy: -10.343 bonds (distance) P-C4' energy: -12.379 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -9.217 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: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -284.073598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.073598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.073598 (E_RNA) where: Base-Base interactions energy: -197.810 where: short stacking energy: -78.417 Base-Backbone interact. energy: -0.742 local terms energy: -85.521196 where: bonds (distance) C4'-P energy: -17.495 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -18.925 flat angles P-C4'-P energy: -17.028 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -280.923093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.923093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.923093 (E_RNA) where: Base-Base interactions energy: -196.660 where: short stacking energy: -89.262 Base-Backbone interact. energy: -0.094 local terms energy: -84.169806 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -16.345 flat angles C4'-P-C4' energy: -19.617 flat angles P-C4'-P energy: -14.513 tors. eta vs tors. theta energy: -21.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -282.600277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.600277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.600277 (E_RNA) where: Base-Base interactions energy: -207.739 where: short stacking energy: -81.926 Base-Backbone interact. energy: -0.109 local terms energy: -74.752942 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -13.717 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -12.837 tors. eta vs tors. theta energy: -17.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -269.952096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.952096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.952096 (E_RNA) where: Base-Base interactions energy: -190.918 where: short stacking energy: -74.209 Base-Backbone interact. energy: 0.352 local terms energy: -79.386398 where: bonds (distance) C4'-P energy: -16.730 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -18.876 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -17.729 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: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -263.075125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.075125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.075125 (E_RNA) where: Base-Base interactions energy: -192.919 where: short stacking energy: -77.404 Base-Backbone interact. energy: -0.596 local terms energy: -69.559648 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -17.182 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -17.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -263.377321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.377321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.377321 (E_RNA) where: Base-Base interactions energy: -183.095 where: short stacking energy: -74.835 Base-Backbone interact. energy: -0.186 local terms energy: -80.096841 where: bonds (distance) C4'-P energy: -18.253 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -20.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -217.023684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.023684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.023684 (E_RNA) where: Base-Base interactions energy: -136.707 where: short stacking energy: -63.282 Base-Backbone interact. energy: -0.577 local terms energy: -79.740314 where: bonds (distance) C4'-P energy: -17.963 bonds (distance) P-C4' energy: -16.839 flat angles C4'-P-C4' energy: -16.795 flat angles P-C4'-P energy: -13.264 tors. eta vs tors. theta energy: -14.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -206.897483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.897483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.897483 (E_RNA) where: Base-Base interactions energy: -137.369 where: short stacking energy: -62.677 Base-Backbone interact. energy: -0.014 local terms energy: -69.514006 where: bonds (distance) C4'-P energy: -9.484 bonds (distance) P-C4' energy: -15.754 flat angles C4'-P-C4' energy: -17.657 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -20.849 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: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -202.151313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.151313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.151313 (E_RNA) where: Base-Base interactions energy: -133.507 where: short stacking energy: -68.020 Base-Backbone interact. energy: -0.005 local terms energy: -68.639486 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -8.424 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -12.339 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -82.865714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.865714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.865714 (E_RNA) where: Base-Base interactions energy: -36.972 where: short stacking energy: -20.744 Base-Backbone interact. energy: -0.810 local terms energy: -45.083958 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: 5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -284.509621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.509621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.509621 (E_RNA) where: Base-Base interactions energy: -199.962 where: short stacking energy: -87.348 Base-Backbone interact. energy: 0.694 local terms energy: -85.241509 where: bonds (distance) C4'-P energy: -16.986 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -16.894 flat angles P-C4'-P energy: -15.153 tors. eta vs tors. theta energy: -20.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -282.170184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.170184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.170184 (E_RNA) where: Base-Base interactions energy: -198.367 where: short stacking energy: -80.437 Base-Backbone interact. energy: -0.245 local terms energy: -83.558101 where: bonds (distance) C4'-P energy: -16.440 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -19.258 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -21.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -281.986594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.986594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.986594 (E_RNA) where: Base-Base interactions energy: -194.686 where: short stacking energy: -83.520 Base-Backbone interact. energy: -0.165 local terms energy: -87.135742 where: bonds (distance) C4'-P energy: -18.948 bonds (distance) P-C4' energy: -18.320 flat angles C4'-P-C4' energy: -18.009 flat angles P-C4'-P energy: -12.565 tors. eta vs tors. theta energy: -19.294 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: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -268.916583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.916583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.916583 (E_RNA) where: Base-Base interactions energy: -191.142 where: short stacking energy: -76.538 Base-Backbone interact. energy: -0.978 local terms energy: -76.796042 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -12.284 tors. eta vs tors. theta energy: -15.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -267.852743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.852743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.852743 (E_RNA) where: Base-Base interactions energy: -193.111 where: short stacking energy: -72.200 Base-Backbone interact. energy: -0.101 local terms energy: -74.640646 where: bonds (distance) C4'-P energy: -15.524 bonds (distance) P-C4' energy: -17.653 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -17.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -265.665881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.665881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.665881 (E_RNA) where: Base-Base interactions energy: -185.865 where: short stacking energy: -79.536 Base-Backbone interact. energy: -0.079 local terms energy: -79.721735 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -16.987 flat angles P-C4'-P energy: -13.248 tors. eta vs tors. theta energy: -20.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -210.285262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.285262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.285262 (E_RNA) where: Base-Base interactions energy: -150.275 where: short stacking energy: -66.266 Base-Backbone interact. energy: 2.374 local terms energy: -62.385213 where: bonds (distance) C4'-P energy: -16.853 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -13.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -194.397261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.397261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.397261 (E_RNA) where: Base-Base interactions energy: -134.651 where: short stacking energy: -62.387 Base-Backbone interact. energy: -0.008 local terms energy: -59.738368 where: bonds (distance) C4'-P energy: -14.618 bonds (distance) P-C4' energy: -9.803 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -13.179 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: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -210.500719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.500719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.500719 (E_RNA) where: Base-Base interactions energy: -146.687 where: short stacking energy: -65.082 Base-Backbone interact. energy: -0.026 local terms energy: -63.788161 where: bonds (distance) C4'-P energy: -14.911 bonds (distance) P-C4' energy: -15.136 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -11.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -93.506056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.506056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.506056 (E_RNA) where: Base-Base interactions energy: -40.085 where: short stacking energy: -30.811 Base-Backbone interact. energy: -0.098 local terms energy: -53.323040 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -11.698 flat angles P-C4'-P energy: -7.207 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: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -290.234962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.234962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.234962 (E_RNA) where: Base-Base interactions energy: -205.743 where: short stacking energy: -89.211 Base-Backbone interact. energy: -0.076 local terms energy: -84.415589 where: bonds (distance) C4'-P energy: -16.456 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -19.410 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -20.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -278.479433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.479433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.479433 (E_RNA) where: Base-Base interactions energy: -197.390 where: short stacking energy: -76.648 Base-Backbone interact. energy: -1.180 local terms energy: -79.909664 where: bonds (distance) C4'-P energy: -15.362 bonds (distance) P-C4' energy: -15.362 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -15.580 tors. eta vs tors. theta energy: -18.303 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: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -275.330205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.330205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.330205 (E_RNA) where: Base-Base interactions energy: -192.447 where: short stacking energy: -77.632 Base-Backbone interact. energy: -0.117 local terms energy: -82.766081 where: bonds (distance) C4'-P energy: -17.296 bonds (distance) P-C4' energy: -18.753 flat angles C4'-P-C4' energy: -18.308 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -18.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -268.128738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.128738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.128738 (E_RNA) where: Base-Base interactions energy: -188.756 where: short stacking energy: -81.014 Base-Backbone interact. energy: -0.137 local terms energy: -79.236544 where: bonds (distance) C4'-P energy: -18.695 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -16.893 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -17.889 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: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -268.300845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.300845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.300845 (E_RNA) where: Base-Base interactions energy: -191.900 where: short stacking energy: -76.561 Base-Backbone interact. energy: -0.401 local terms energy: -76.000080 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -20.280 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -19.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -265.031507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.031507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.031507 (E_RNA) where: Base-Base interactions energy: -185.790 where: short stacking energy: -73.902 Base-Backbone interact. energy: -1.146 local terms energy: -78.096142 where: bonds (distance) C4'-P energy: -16.916 bonds (distance) P-C4' energy: -16.497 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -20.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -224.253823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.253823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.253823 (E_RNA) where: Base-Base interactions energy: -150.991 where: short stacking energy: -76.878 Base-Backbone interact. energy: -0.001 local terms energy: -73.261279 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -18.580 flat angles P-C4'-P energy: -11.728 tors. eta vs tors. theta energy: -18.599 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: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -195.163462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.163462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.163462 (E_RNA) where: Base-Base interactions energy: -124.496 where: short stacking energy: -55.422 Base-Backbone interact. energy: -0.013 local terms energy: -70.653674 where: bonds (distance) C4'-P energy: -15.362 bonds (distance) P-C4' energy: -16.605 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -14.483 tors. eta vs tors. theta energy: -9.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -209.580923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.580923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.580923 (E_RNA) where: Base-Base interactions energy: -141.421 where: short stacking energy: -65.803 Base-Backbone interact. energy: -0.082 local terms energy: -68.077798 where: bonds (distance) C4'-P energy: -13.963 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -17.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -118.120608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.120608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.120608 (E_RNA) where: Base-Base interactions energy: -52.167 where: short stacking energy: -39.150 Base-Backbone interact. energy: -0.089 local terms energy: -65.863884 where: bonds (distance) C4'-P energy: -16.007 bonds (distance) P-C4' energy: -17.220 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -11.077 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: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -280.755364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.755364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.755364 (E_RNA) where: Base-Base interactions energy: -199.752 where: short stacking energy: -83.070 Base-Backbone interact. energy: -0.127 local terms energy: -80.876124 where: bonds (distance) C4'-P energy: -16.294 bonds (distance) P-C4' energy: -16.728 flat angles C4'-P-C4' energy: -15.649 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: -20.854 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: 319 Temperature: 0.950000 Total energy: -283.094442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.094442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.094442 (E_RNA) where: Base-Base interactions energy: -203.720 where: short stacking energy: -81.379 Base-Backbone interact. energy: -1.452 local terms energy: -77.921627 where: bonds (distance) C4'-P energy: -17.326 bonds (distance) P-C4' energy: -10.495 flat angles C4'-P-C4' energy: -20.107 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -19.091 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: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -271.613528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.613528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.613528 (E_RNA) where: Base-Base interactions energy: -197.022 where: short stacking energy: -75.273 Base-Backbone interact. energy: -0.904 local terms energy: -73.687452 where: bonds (distance) C4'-P energy: -16.961 bonds (distance) P-C4' energy: -17.390 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -268.207394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.207394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.207394 (E_RNA) where: Base-Base interactions energy: -191.776 where: short stacking energy: -75.689 Base-Backbone interact. energy: 0.932 local terms energy: -77.363043 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -16.322 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -22.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -261.739376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.739376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.739376 (E_RNA) where: Base-Base interactions energy: -185.964 where: short stacking energy: -72.771 Base-Backbone interact. energy: -0.414 local terms energy: -75.362012 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -15.168 flat angles P-C4'-P energy: -11.320 tors. eta vs tors. theta energy: -17.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -265.036408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.036408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.036408 (E_RNA) where: Base-Base interactions energy: -187.144 where: short stacking energy: -81.417 Base-Backbone interact. energy: -0.476 local terms energy: -77.416861 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -15.667 flat angles P-C4'-P energy: -9.589 tors. eta vs tors. theta energy: -21.172 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: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -204.979240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.979240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.979240 (E_RNA) where: Base-Base interactions energy: -136.544 where: short stacking energy: -64.527 Base-Backbone interact. energy: -0.037 local terms energy: -68.398555 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -17.587 flat angles P-C4'-P energy: -10.785 tors. eta vs tors. theta energy: -14.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -206.092760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.092760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.092760 (E_RNA) where: Base-Base interactions energy: -132.803 where: short stacking energy: -60.782 Base-Backbone interact. energy: -0.071 local terms energy: -73.218201 where: bonds (distance) C4'-P energy: -15.586 bonds (distance) P-C4' energy: -19.454 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -13.259 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -236.629074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.629074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.629074 (E_RNA) where: Base-Base interactions energy: -162.053 where: short stacking energy: -75.048 Base-Backbone interact. energy: -0.037 local terms energy: -74.539091 where: bonds (distance) C4'-P energy: -15.363 bonds (distance) P-C4' energy: -17.841 flat angles C4'-P-C4' energy: -17.056 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -13.404 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: 319 Temperature: 1.350000 Total energy: -130.860569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.860569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.860569 (E_RNA) where: Base-Base interactions energy: -79.897 where: short stacking energy: -51.019 Base-Backbone interact. energy: -0.002 local terms energy: -50.961459 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -10.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -288.584802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.584802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.584802 (E_RNA) where: Base-Base interactions energy: -210.859 where: short stacking energy: -92.691 Base-Backbone interact. energy: -0.767 local terms energy: -76.959095 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -15.302 tors. eta vs tors. theta energy: -21.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -281.356992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.356992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.356992 (E_RNA) where: Base-Base interactions energy: -202.531 where: short stacking energy: -86.007 Base-Backbone interact. energy: 0.675 local terms energy: -79.501374 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -18.571 flat angles P-C4'-P energy: -14.272 tors. eta vs tors. theta energy: -18.878 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: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -274.486338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.486338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.486338 (E_RNA) where: Base-Base interactions energy: -205.157 where: short stacking energy: -83.917 Base-Backbone interact. energy: -0.282 local terms energy: -69.047083 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -18.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -279.139895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.139895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.139895 (E_RNA) where: Base-Base interactions energy: -198.595 where: short stacking energy: -80.046 Base-Backbone interact. energy: -0.164 local terms energy: -80.381436 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -17.497 flat angles P-C4'-P energy: -12.831 tors. eta vs tors. theta energy: -20.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -275.630538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.630538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.630538 (E_RNA) where: Base-Base interactions energy: -192.449 where: short stacking energy: -77.940 Base-Backbone interact. energy: -0.265 local terms energy: -82.916935 where: bonds (distance) C4'-P energy: -17.465 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -19.067 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -21.144 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: 6, replica: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -264.516672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.516672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.516672 (E_RNA) where: Base-Base interactions energy: -191.537 where: short stacking energy: -81.042 Base-Backbone interact. energy: -0.205 local terms energy: -72.775136 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -17.049 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -211.907421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.907421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.907421 (E_RNA) where: Base-Base interactions energy: -140.675 where: short stacking energy: -65.327 Base-Backbone interact. energy: -0.004 local terms energy: -71.228617 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -17.555 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: -16.304 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: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -196.459910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.459910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.459910 (E_RNA) where: Base-Base interactions energy: -126.156 where: short stacking energy: -55.809 Base-Backbone interact. energy: -0.299 local terms energy: -70.004930 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -17.823 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -12.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -132.363842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.363842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.363842 (E_RNA) where: Base-Base interactions energy: -76.605 where: short stacking energy: -34.501 Base-Backbone interact. energy: -0.390 local terms energy: -55.368379 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -185.670312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.670312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.670312 (E_RNA) where: Base-Base interactions energy: -115.829 where: short stacking energy: -57.388 Base-Backbone interact. energy: -0.473 local terms energy: -69.367917 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -17.188 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -13.378 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: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -285.729861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.729861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.729861 (E_RNA) where: Base-Base interactions energy: -207.818 where: short stacking energy: -85.063 Base-Backbone interact. energy: -0.263 local terms energy: -77.648537 where: bonds (distance) C4'-P energy: -18.372 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -17.049 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -17.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -279.129543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.129543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.129543 (E_RNA) where: Base-Base interactions energy: -205.539 where: short stacking energy: -87.362 Base-Backbone interact. energy: -0.086 local terms energy: -73.504351 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -14.323 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -16.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -275.616504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.616504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.616504 (E_RNA) where: Base-Base interactions energy: -196.590 where: short stacking energy: -83.798 Base-Backbone interact. energy: -0.435 local terms energy: -78.591382 where: bonds (distance) C4'-P energy: -17.201 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -19.208 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: 4, replica: 5 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -279.001262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.001262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.001262 (E_RNA) where: Base-Base interactions energy: -201.840 where: short stacking energy: -85.049 Base-Backbone interact. energy: 0.583 local terms energy: -77.744119 where: bonds (distance) C4'-P energy: -16.423 bonds (distance) P-C4' energy: -12.728 flat angles C4'-P-C4' energy: -17.163 flat angles P-C4'-P energy: -9.622 tors. eta vs tors. theta energy: -21.809 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: 321 Temperature: 1.100000 Total energy: -260.866119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.866119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.866119 (E_RNA) where: Base-Base interactions energy: -186.940 where: short stacking energy: -77.012 Base-Backbone interact. energy: -0.208 local terms energy: -73.718087 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -18.358 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -14.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -258.223842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.223842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.223842 (E_RNA) where: Base-Base interactions energy: -182.418 where: short stacking energy: -80.388 Base-Backbone interact. energy: -0.681 local terms energy: -75.124760 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -17.631 flat angles P-C4'-P energy: -11.290 tors. eta vs tors. theta energy: -14.708 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -221.986377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.986377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.986377 (E_RNA) where: Base-Base interactions energy: -144.203 where: short stacking energy: -78.367 Base-Backbone interact. energy: -0.001 local terms energy: -77.781706 where: bonds (distance) C4'-P energy: -15.461 bonds (distance) P-C4' energy: -17.664 flat angles C4'-P-C4' energy: -16.924 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -17.327 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: 321 Temperature: 1.250000 Total energy: -207.552486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.552486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.552486 (E_RNA) where: Base-Base interactions energy: -142.866 where: short stacking energy: -73.134 Base-Backbone interact. energy: -0.015 local terms energy: -64.671362 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -9.926 flat angles C4'-P-C4' energy: -17.489 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -14.927 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: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -148.774027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.774027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.774027 (E_RNA) where: Base-Base interactions energy: -89.684 where: short stacking energy: -52.678 Base-Backbone interact. energy: -0.049 local terms energy: -59.041284 where: bonds (distance) C4'-P energy: -11.732 bonds (distance) P-C4' energy: -16.161 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -9.625 tors. eta vs tors. theta energy: -8.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -189.827002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.827002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.827002 (E_RNA) where: Base-Base interactions energy: -124.849 where: short stacking energy: -53.528 Base-Backbone interact. energy: -1.221 local terms energy: -63.757898 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -17.175 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -12.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -283.211983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.211983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.211983 (E_RNA) where: Base-Base interactions energy: -201.982 where: short stacking energy: -82.488 Base-Backbone interact. energy: -0.396 local terms energy: -80.833805 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -18.570 flat angles C4'-P-C4' energy: -15.352 flat angles P-C4'-P energy: -12.312 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -275.516669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.516669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.516669 (E_RNA) where: Base-Base interactions energy: -189.163 where: short stacking energy: -80.910 Base-Backbone interact. energy: -0.174 local terms energy: -86.179441 where: bonds (distance) C4'-P energy: -15.413 bonds (distance) P-C4' energy: -20.120 flat angles C4'-P-C4' energy: -19.244 flat angles P-C4'-P energy: -13.947 tors. eta vs tors. theta energy: -17.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -273.700511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.700511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.700511 (E_RNA) where: Base-Base interactions energy: -191.893 where: short stacking energy: -78.984 Base-Backbone interact. energy: 0.165 local terms energy: -81.973121 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -19.097 flat angles P-C4'-P energy: -11.712 tors. eta vs tors. theta energy: -20.394 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: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -264.752720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.752720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.752720 (E_RNA) where: Base-Base interactions energy: -193.119 where: short stacking energy: -76.205 Base-Backbone interact. energy: -0.289 local terms energy: -71.344448 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -11.895 tors. eta vs tors. theta energy: -14.199 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: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -263.400913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.400913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.400913 (E_RNA) where: Base-Base interactions energy: -189.027 where: short stacking energy: -72.832 Base-Backbone interact. energy: -0.974 local terms energy: -73.399715 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -18.671 flat angles P-C4'-P energy: -13.179 tors. eta vs tors. theta energy: -15.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -245.262886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.262886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.262886 (E_RNA) where: Base-Base interactions energy: -169.853 where: short stacking energy: -75.404 Base-Backbone interact. energy: 0.017 local terms energy: -75.427268 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -16.978 flat angles P-C4'-P energy: -12.197 tors. eta vs tors. theta energy: -18.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -222.526762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.526762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.526762 (E_RNA) where: Base-Base interactions energy: -141.618 where: short stacking energy: -71.447 Base-Backbone interact. energy: 0.903 local terms energy: -81.811343 where: bonds (distance) C4'-P energy: -17.842 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -16.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -208.375429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.375429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.375429 (E_RNA) where: Base-Base interactions energy: -136.060 where: short stacking energy: -65.887 Base-Backbone interact. energy: -0.024 local terms energy: -72.291375 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -11.356 tors. eta vs tors. theta energy: -19.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -209.424435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.424435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.424435 (E_RNA) where: Base-Base interactions energy: -145.732 where: short stacking energy: -77.345 Base-Backbone interact. energy: 3.716 local terms energy: -67.407484 where: bonds (distance) C4'-P energy: -8.610 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -17.023 flat angles P-C4'-P energy: -13.110 tors. eta vs tors. theta energy: -13.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -128.361695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.361695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.361695 (E_RNA) where: Base-Base interactions energy: -68.374 where: short stacking energy: -40.843 Base-Backbone interact. energy: -0.186 local terms energy: -59.802510 where: bonds (distance) C4'-P energy: -8.908 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -9.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -286.795325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.795325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.795325 (E_RNA) where: Base-Base interactions energy: -207.567 where: short stacking energy: -90.406 Base-Backbone interact. energy: -0.131 local terms energy: -79.097008 where: bonds (distance) C4'-P energy: -17.376 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -15.660 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -20.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -286.513465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.513465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.513465 (E_RNA) where: Base-Base interactions energy: -201.006 where: short stacking energy: -79.140 Base-Backbone interact. energy: -0.657 local terms energy: -84.850199 where: bonds (distance) C4'-P energy: -16.472 bonds (distance) P-C4' energy: -14.714 flat angles C4'-P-C4' energy: -19.867 flat angles P-C4'-P energy: -12.331 tors. eta vs tors. theta energy: -21.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -280.118697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.118697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.118697 (E_RNA) where: Base-Base interactions energy: -199.086 where: short stacking energy: -80.000 Base-Backbone interact. energy: -1.166 local terms energy: -79.866453 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -19.078 flat angles C4'-P-C4' energy: -17.986 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -17.812 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: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -276.484313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.484313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.484313 (E_RNA) where: Base-Base interactions energy: -193.439 where: short stacking energy: -76.856 Base-Backbone interact. energy: -0.152 local terms energy: -82.892423 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -19.760 flat angles C4'-P-C4' energy: -19.867 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: -17.415 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: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -261.246304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.246304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.246304 (E_RNA) where: Base-Base interactions energy: -185.377 where: short stacking energy: -71.487 Base-Backbone interact. energy: -0.161 local terms energy: -75.707848 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -17.872 flat angles C4'-P-C4' energy: -18.231 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -16.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -221.438594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.438594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.438594 (E_RNA) where: Base-Base interactions energy: -147.433 where: short stacking energy: -73.537 Base-Backbone interact. energy: -1.446 local terms energy: -72.559588 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -14.839 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -16.907 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: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -239.937713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.937713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.937713 (E_RNA) where: Base-Base interactions energy: -167.352 where: short stacking energy: -69.632 Base-Backbone interact. energy: -0.193 local terms energy: -72.393122 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -16.465 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -8.017 tors. eta vs tors. theta energy: -20.519 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: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -212.065906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.065906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.065906 (E_RNA) where: Base-Base interactions energy: -137.807 where: short stacking energy: -64.723 Base-Backbone interact. energy: -0.176 local terms energy: -74.082756 where: bonds (distance) C4'-P energy: -16.260 bonds (distance) P-C4' energy: -15.683 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -17.436 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: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -211.647287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.647287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.647287 (E_RNA) where: Base-Base interactions energy: -146.693 where: short stacking energy: -60.937 Base-Backbone interact. energy: -0.950 local terms energy: -64.004225 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -114.505179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.505179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.505179 (E_RNA) where: Base-Base interactions energy: -58.385 where: short stacking energy: -39.966 Base-Backbone interact. energy: -0.375 local terms energy: -55.745806 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -10.949 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -9.632 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: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -285.043182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.043182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.043182 (E_RNA) where: Base-Base interactions energy: -205.204 where: short stacking energy: -85.422 Base-Backbone interact. energy: 0.549 local terms energy: -80.388494 where: bonds (distance) C4'-P energy: -10.703 bonds (distance) P-C4' energy: -18.798 flat angles C4'-P-C4' energy: -15.954 flat angles P-C4'-P energy: -12.654 tors. eta vs tors. theta energy: -22.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -274.714276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.714276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.714276 (E_RNA) where: Base-Base interactions energy: -202.466 where: short stacking energy: -87.404 Base-Backbone interact. energy: 0.201 local terms energy: -72.449226 where: bonds (distance) C4'-P energy: -17.322 bonds (distance) P-C4' energy: -10.668 flat angles C4'-P-C4' energy: -17.995 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -17.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -279.847269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.847269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.847269 (E_RNA) where: Base-Base interactions energy: -200.546 where: short stacking energy: -82.487 Base-Backbone interact. energy: -0.559 local terms energy: -78.742630 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -11.381 tors. eta vs tors. theta energy: -21.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -279.248360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.248360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.248360 (E_RNA) where: Base-Base interactions energy: -198.471 where: short stacking energy: -84.534 Base-Backbone interact. energy: -0.127 local terms energy: -80.650248 where: bonds (distance) C4'-P energy: -15.033 bonds (distance) P-C4' energy: -17.294 flat angles C4'-P-C4' energy: -17.681 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -20.507 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: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -258.581884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.581884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.581884 (E_RNA) where: Base-Base interactions energy: -191.364 where: short stacking energy: -80.576 Base-Backbone interact. energy: -0.219 local terms energy: -66.998538 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -17.513 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -14.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -230.215216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.215216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.215216 (E_RNA) where: Base-Base interactions energy: -154.996 where: short stacking energy: -75.978 Base-Backbone interact. energy: 0.432 local terms energy: -75.651649 where: bonds (distance) C4'-P energy: -16.124 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -17.334 flat angles P-C4'-P energy: -13.091 tors. eta vs tors. theta energy: -16.905 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: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -217.620320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.620320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.620320 (E_RNA) where: Base-Base interactions energy: -143.908 where: short stacking energy: -66.103 Base-Backbone interact. energy: -0.086 local terms energy: -73.626275 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -12.040 flat angles C4'-P-C4' energy: -18.649 flat angles P-C4'-P energy: -12.043 tors. eta vs tors. theta energy: -17.019 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: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -217.825657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.825657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.825657 (E_RNA) where: Base-Base interactions energy: -147.768 where: short stacking energy: -70.022 Base-Backbone interact. energy: 0.132 local terms energy: -70.189896 where: bonds (distance) C4'-P energy: -13.954 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -16.191 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -15.376 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: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -207.133087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.133087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.133087 (E_RNA) where: Base-Base interactions energy: -147.518 where: short stacking energy: -71.409 Base-Backbone interact. energy: -0.003 local terms energy: -59.611397 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -2.825 flat angles C4'-P-C4' energy: -17.326 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -20.177 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: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -102.488111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.488111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.488111 (E_RNA) where: Base-Base interactions energy: -41.728 where: short stacking energy: -37.509 Base-Backbone interact. energy: -0.140 local terms energy: -60.620326 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -18.307 flat angles C4'-P-C4' energy: -17.209 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -281.577481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.577481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.577481 (E_RNA) where: Base-Base interactions energy: -201.232 where: short stacking energy: -84.396 Base-Backbone interact. energy: -0.335 local terms energy: -80.011049 where: bonds (distance) C4'-P energy: -15.629 bonds (distance) P-C4' energy: -19.014 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -21.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -284.150673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.150673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.150673 (E_RNA) where: Base-Base interactions energy: -202.868 where: short stacking energy: -80.737 Base-Backbone interact. energy: -1.195 local terms energy: -80.087711 where: bonds (distance) C4'-P energy: -9.709 bonds (distance) P-C4' energy: -18.869 flat angles C4'-P-C4' energy: -17.060 flat angles P-C4'-P energy: -14.481 tors. eta vs tors. theta energy: -19.970 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: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -278.549381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.549381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.549381 (E_RNA) where: Base-Base interactions energy: -192.587 where: short stacking energy: -82.074 Base-Backbone interact. energy: -1.790 local terms energy: -84.172367 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -16.011 flat angles C4'-P-C4' energy: -17.565 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -24.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -276.252792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.252792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.252792 (E_RNA) where: Base-Base interactions energy: -191.726 where: short stacking energy: -78.939 Base-Backbone interact. energy: -2.061 local terms energy: -82.466010 where: bonds (distance) C4'-P energy: -17.263 bonds (distance) P-C4' energy: -18.231 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -12.088 tors. eta vs tors. theta energy: -20.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -274.451415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.451415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.451415 (E_RNA) where: Base-Base interactions energy: -190.041 where: short stacking energy: -80.619 Base-Backbone interact. energy: -0.102 local terms energy: -84.308893 where: bonds (distance) C4'-P energy: -18.107 bonds (distance) P-C4' energy: -16.791 flat angles C4'-P-C4' energy: -19.678 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -18.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -218.380443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.380443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.380443 (E_RNA) where: Base-Base interactions energy: -147.793 where: short stacking energy: -69.715 Base-Backbone interact. energy: -0.009 local terms energy: -70.577973 where: bonds (distance) C4'-P energy: -9.600 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -19.803 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: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -215.963758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.963758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.963758 (E_RNA) where: Base-Base interactions energy: -143.830 where: short stacking energy: -67.829 Base-Backbone interact. energy: -0.080 local terms energy: -72.054177 where: bonds (distance) C4'-P energy: -15.606 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -17.838 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -11.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -195.962340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.962340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.962340 (E_RNA) where: Base-Base interactions energy: -140.816 where: short stacking energy: -61.127 Base-Backbone interact. energy: -1.046 local terms energy: -54.100353 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -12.972 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: 325 Temperature: 1.300000 Total energy: -197.893402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.893402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.893402 (E_RNA) where: Base-Base interactions energy: -134.599 where: short stacking energy: -69.453 Base-Backbone interact. energy: 0.720 local terms energy: -64.014089 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -16.932 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -11.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -108.579459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.579459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.579459 (E_RNA) where: Base-Base interactions energy: -55.457 where: short stacking energy: -30.019 Base-Backbone interact. energy: 0.064 local terms energy: -53.185817 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -11.822 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -281.591678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.591678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.591678 (E_RNA) where: Base-Base interactions energy: -200.204 where: short stacking energy: -85.854 Base-Backbone interact. energy: -0.065 local terms energy: -81.323370 where: bonds (distance) C4'-P energy: -15.885 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -12.140 tors. eta vs tors. theta energy: -19.757 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: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -285.065797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.065797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.065797 (E_RNA) where: Base-Base interactions energy: -199.722 where: short stacking energy: -81.945 Base-Backbone interact. energy: -0.112 local terms energy: -85.231512 where: bonds (distance) C4'-P energy: -17.579 bonds (distance) P-C4' energy: -18.404 flat angles C4'-P-C4' energy: -17.349 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -20.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -276.097182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.097182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.097182 (E_RNA) where: Base-Base interactions energy: -199.536 where: short stacking energy: -83.519 Base-Backbone interact. energy: -0.111 local terms energy: -76.450921 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -17.934 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -19.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -280.477366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.477366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.477366 (E_RNA) where: Base-Base interactions energy: -200.578 where: short stacking energy: -86.699 Base-Backbone interact. energy: -0.099 local terms energy: -79.800260 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -17.024 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -14.245 tors. eta vs tors. theta energy: -18.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -269.636757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.636757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.636757 (E_RNA) where: Base-Base interactions energy: -189.606 where: short stacking energy: -76.787 Base-Backbone interact. energy: -0.772 local terms energy: -79.258530 where: bonds (distance) C4'-P energy: -17.114 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -17.235 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -17.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -219.925147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.925147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.925147 (E_RNA) where: Base-Base interactions energy: -152.948 where: short stacking energy: -78.894 Base-Backbone interact. energy: -0.460 local terms energy: -66.517280 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -7.975 tors. eta vs tors. theta energy: -19.072 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: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -212.099796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.099796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.099796 (E_RNA) where: Base-Base interactions energy: -147.681 where: short stacking energy: -69.428 Base-Backbone interact. energy: 0.820 local terms energy: -65.239303 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -15.403 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -8.557 tors. eta vs tors. theta energy: -14.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -200.731030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.731030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.731030 (E_RNA) where: Base-Base interactions energy: -135.449 where: short stacking energy: -67.585 Base-Backbone interact. energy: -0.089 local terms energy: -65.193348 where: bonds (distance) C4'-P energy: -15.281 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -13.977 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: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -205.663107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.663107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.663107 (E_RNA) where: Base-Base interactions energy: -139.090 where: short stacking energy: -69.099 Base-Backbone interact. energy: -0.099 local terms energy: -66.474656 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -16.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -137.881274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.881274 (E_RNA) where: Base-Base interactions energy: -73.509 where: short stacking energy: -47.675 Base-Backbone interact. energy: -0.190 local terms energy: -64.182203 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -15.854 flat angles P-C4'-P energy: -12.866 tors. eta vs tors. theta energy: -7.971 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: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -290.627245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.627245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.627245 (E_RNA) where: Base-Base interactions energy: -204.683 where: short stacking energy: -84.307 Base-Backbone interact. energy: -0.283 local terms energy: -85.660753 where: bonds (distance) C4'-P energy: -19.515 bonds (distance) P-C4' energy: -17.336 flat angles C4'-P-C4' energy: -16.640 flat angles P-C4'-P energy: -12.284 tors. eta vs tors. theta energy: -19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -278.598527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.598527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.598527 (E_RNA) where: Base-Base interactions energy: -197.966 where: short stacking energy: -84.607 Base-Backbone interact. energy: -0.154 local terms energy: -80.478367 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -18.001 flat angles C4'-P-C4' energy: -18.406 flat angles P-C4'-P energy: -13.424 tors. eta vs tors. theta energy: -18.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -281.192390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.192390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.192390 (E_RNA) where: Base-Base interactions energy: -195.100 where: short stacking energy: -82.181 Base-Backbone interact. energy: -0.131 local terms energy: -85.960835 where: bonds (distance) C4'-P energy: -16.447 bonds (distance) P-C4' energy: -19.740 flat angles C4'-P-C4' energy: -18.502 flat angles P-C4'-P energy: -12.874 tors. eta vs tors. theta energy: -18.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -268.010113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.010113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.010113 (E_RNA) where: Base-Base interactions energy: -191.580 where: short stacking energy: -75.165 Base-Backbone interact. energy: -2.195 local terms energy: -74.235086 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -16.087 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -14.531 tors. eta vs tors. theta energy: -17.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -263.128379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.128379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.128379 (E_RNA) where: Base-Base interactions energy: -184.676 where: short stacking energy: -73.686 Base-Backbone interact. energy: -0.123 local terms energy: -78.329640 where: bonds (distance) C4'-P energy: -16.978 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -18.171 flat angles P-C4'-P energy: -12.247 tors. eta vs tors. theta energy: -15.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -219.919150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.919150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.919150 (E_RNA) where: Base-Base interactions energy: -140.708 where: short stacking energy: -64.323 Base-Backbone interact. energy: -0.090 local terms energy: -79.121174 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -17.864 flat angles C4'-P-C4' energy: -17.783 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: -18.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -208.428008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.428008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.428008 (E_RNA) where: Base-Base interactions energy: -142.157 where: short stacking energy: -73.040 Base-Backbone interact. energy: -0.021 local terms energy: -66.249691 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -19.950 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: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -210.087917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.087917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.087917 (E_RNA) where: Base-Base interactions energy: -141.995 where: short stacking energy: -64.519 Base-Backbone interact. energy: -0.258 local terms energy: -67.835194 where: bonds (distance) C4'-P energy: -8.857 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -18.982 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -13.604 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: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -197.621937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.621937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.621937 (E_RNA) where: Base-Base interactions energy: -141.609 where: short stacking energy: -70.739 Base-Backbone interact. energy: -0.097 local terms energy: -55.915896 where: bonds (distance) C4'-P energy: -11.301 bonds (distance) P-C4' energy: -8.533 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -12.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -115.614386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.614386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.614386 (E_RNA) where: Base-Base interactions energy: -62.012 where: short stacking energy: -38.807 Base-Backbone interact. energy: 0.867 local terms energy: -54.469626 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -288.721862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.721862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.721862 (E_RNA) where: Base-Base interactions energy: -206.926 where: short stacking energy: -85.009 Base-Backbone interact. energy: -0.109 local terms energy: -81.687136 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -18.048 flat angles C4'-P-C4' energy: -19.332 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -18.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -286.970947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.970947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.970947 (E_RNA) where: Base-Base interactions energy: -200.568 where: short stacking energy: -86.057 Base-Backbone interact. energy: -0.114 local terms energy: -86.288593 where: bonds (distance) C4'-P energy: -17.999 bonds (distance) P-C4' energy: -18.139 flat angles C4'-P-C4' energy: -17.574 flat angles P-C4'-P energy: -12.116 tors. eta vs tors. theta energy: -20.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -278.679134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.679134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.679134 (E_RNA) where: Base-Base interactions energy: -195.632 where: short stacking energy: -82.225 Base-Backbone interact. energy: -0.812 local terms energy: -82.234718 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -17.964 flat angles P-C4'-P energy: -12.976 tors. eta vs tors. theta energy: -20.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -279.079293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.079293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.079293 (E_RNA) where: Base-Base interactions energy: -192.783 where: short stacking energy: -78.281 Base-Backbone interact. energy: -2.852 local terms energy: -83.444840 where: bonds (distance) C4'-P energy: -16.276 bonds (distance) P-C4' energy: -13.602 flat angles C4'-P-C4' energy: -19.312 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -22.480 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: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -266.643662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.643662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.643662 (E_RNA) where: Base-Base interactions energy: -192.441 where: short stacking energy: -79.184 Base-Backbone interact. energy: -0.425 local terms energy: -73.777434 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -17.354 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -20.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -215.644826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.644826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.644826 (E_RNA) where: Base-Base interactions energy: -143.881 where: short stacking energy: -75.555 Base-Backbone interact. energy: -0.034 local terms energy: -71.730200 where: bonds (distance) C4'-P energy: -16.914 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -15.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -217.679252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.679252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.679252 (E_RNA) where: Base-Base interactions energy: -136.887 where: short stacking energy: -76.026 Base-Backbone interact. energy: -0.881 local terms energy: -79.911113 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -22.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -214.155739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.155739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.155739 (E_RNA) where: Base-Base interactions energy: -150.316 where: short stacking energy: -67.775 Base-Backbone interact. energy: -0.012 local terms energy: -63.826890 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -19.246 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -20.347 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: 4 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -201.263306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.263306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.263306 (E_RNA) where: Base-Base interactions energy: -127.959 where: short stacking energy: -62.741 Base-Backbone interact. energy: -0.020 local terms energy: -73.284301 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -16.829 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -107.093118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.093118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.093118 (E_RNA) where: Base-Base interactions energy: -47.803 where: short stacking energy: -45.034 Base-Backbone interact. energy: -0.018 local terms energy: -59.272316 where: bonds (distance) C4'-P energy: -15.709 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -12.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -284.398109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.398109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.398109 (E_RNA) where: Base-Base interactions energy: -203.207 where: short stacking energy: -87.011 Base-Backbone interact. energy: 0.053 local terms energy: -81.243607 where: bonds (distance) C4'-P energy: -16.022 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -18.404 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -20.919 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: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -282.292031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.292031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.292031 (E_RNA) where: Base-Base interactions energy: -200.989 where: short stacking energy: -85.801 Base-Backbone interact. energy: -0.761 local terms energy: -80.541383 where: bonds (distance) C4'-P energy: -17.136 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -13.598 tors. eta vs tors. theta energy: -17.440 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: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -279.386345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.386345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.386345 (E_RNA) where: Base-Base interactions energy: -199.112 where: short stacking energy: -85.572 Base-Backbone interact. energy: -1.122 local terms energy: -79.152934 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -19.359 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -13.570 tors. eta vs tors. theta energy: -19.442 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: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -269.236570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.236570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.236570 (E_RNA) where: Base-Base interactions energy: -189.699 where: short stacking energy: -78.181 Base-Backbone interact. energy: -0.449 local terms energy: -79.088521 where: bonds (distance) C4'-P energy: -15.442 bonds (distance) P-C4' energy: -17.843 flat angles C4'-P-C4' energy: -18.724 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -17.874 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: 10 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -272.005105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.005105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.005105 (E_RNA) where: Base-Base interactions energy: -197.537 where: short stacking energy: -84.383 Base-Backbone interact. energy: -0.871 local terms energy: -73.597045 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -21.519 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: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -216.475644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.475644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.475644 (E_RNA) where: Base-Base interactions energy: -146.071 where: short stacking energy: -69.912 Base-Backbone interact. energy: -0.065 local terms energy: -70.339758 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -17.221 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -15.377 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: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -214.486448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.486448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.486448 (E_RNA) where: Base-Base interactions energy: -149.503 where: short stacking energy: -65.709 Base-Backbone interact. energy: -0.007 local terms energy: -64.976413 where: bonds (distance) C4'-P energy: -15.521 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -13.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -200.750969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.750969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.750969 (E_RNA) where: Base-Base interactions energy: -128.653 where: short stacking energy: -57.494 Base-Backbone interact. energy: -0.160 local terms energy: -71.937719 where: bonds (distance) C4'-P energy: -16.596 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -16.229 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -209.688892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.688892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.688892 (E_RNA) where: Base-Base interactions energy: -139.257 where: short stacking energy: -66.993 Base-Backbone interact. energy: -0.152 local terms energy: -70.279786 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -18.225 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -16.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -114.488214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.488214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.488214 (E_RNA) where: Base-Base interactions energy: -54.142 where: short stacking energy: -44.043 Base-Backbone interact. energy: -0.074 local terms energy: -60.272440 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -282.726218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.726218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.726218 (E_RNA) where: Base-Base interactions energy: -197.895 where: short stacking energy: -81.477 Base-Backbone interact. energy: -1.026 local terms energy: -83.805303 where: bonds (distance) C4'-P energy: -16.978 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -17.492 flat angles P-C4'-P energy: -13.221 tors. eta vs tors. theta energy: -19.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -281.660438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.660438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.660438 (E_RNA) where: Base-Base interactions energy: -201.160 where: short stacking energy: -83.240 Base-Backbone interact. energy: -1.059 local terms energy: -79.441756 where: bonds (distance) C4'-P energy: -16.403 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -11.431 tors. eta vs tors. theta energy: -19.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -277.899357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.899357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.899357 (E_RNA) where: Base-Base interactions energy: -196.783 where: short stacking energy: -78.772 Base-Backbone interact. energy: -0.543 local terms energy: -80.573667 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -16.818 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -13.946 tors. eta vs tors. theta energy: -18.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -276.392982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.392982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.392982 (E_RNA) where: Base-Base interactions energy: -195.795 where: short stacking energy: -79.144 Base-Backbone interact. energy: 0.164 local terms energy: -80.761375 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -17.086 flat angles C4'-P-C4' energy: -16.680 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -22.063 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: 10 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -265.273576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.273576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.273576 (E_RNA) where: Base-Base interactions energy: -186.422 where: short stacking energy: -74.671 Base-Backbone interact. energy: -0.324 local terms energy: -78.527689 where: bonds (distance) C4'-P energy: -17.689 bonds (distance) P-C4' energy: -19.390 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -216.294082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.294082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.294082 (E_RNA) where: Base-Base interactions energy: -150.177 where: short stacking energy: -58.996 Base-Backbone interact. energy: -0.034 local terms energy: -66.082698 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -15.832 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: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -211.987566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.987566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.987566 (E_RNA) where: Base-Base interactions energy: -150.185 where: short stacking energy: -70.060 Base-Backbone interact. energy: -0.136 local terms energy: -61.666467 where: bonds (distance) C4'-P energy: -12.689 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -11.814 tors. eta vs tors. theta energy: -10.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -211.532379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.532379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.532379 (E_RNA) where: Base-Base interactions energy: -141.723 where: short stacking energy: -64.760 Base-Backbone interact. energy: -0.095 local terms energy: -69.714248 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -16.801 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -14.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -201.937223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.937223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.937223 (E_RNA) where: Base-Base interactions energy: -137.130 where: short stacking energy: -68.630 Base-Backbone interact. energy: -0.101 local terms energy: -64.706280 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -16.349 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -103.065100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.065100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.065100 (E_RNA) where: Base-Base interactions energy: -50.361 where: short stacking energy: -41.576 Base-Backbone interact. energy: 1.294 local terms energy: -53.998161 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -9.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -287.350467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.350467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.350467 (E_RNA) where: Base-Base interactions energy: -205.644 where: short stacking energy: -84.741 Base-Backbone interact. energy: -1.047 local terms energy: -80.659321 where: bonds (distance) C4'-P energy: -17.110 bonds (distance) P-C4' energy: -19.522 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -13.735 tors. eta vs tors. theta energy: -14.538 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: 331 Temperature: 0.950000 Total energy: -281.106637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.106637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.106637 (E_RNA) where: Base-Base interactions energy: -205.070 where: short stacking energy: -86.993 Base-Backbone interact. energy: 2.675 local terms energy: -78.711355 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -17.970 flat angles C4'-P-C4' energy: -18.052 flat angles P-C4'-P energy: -11.293 tors. eta vs tors. theta energy: -17.978 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: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -277.778519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.778519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.778519 (E_RNA) where: Base-Base interactions energy: -196.972 where: short stacking energy: -81.111 Base-Backbone interact. energy: -0.873 local terms energy: -79.932635 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -13.615 tors. eta vs tors. theta energy: -19.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -275.759924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.759924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.759924 (E_RNA) where: Base-Base interactions energy: -190.122 where: short stacking energy: -82.461 Base-Backbone interact. energy: -0.897 local terms energy: -84.740440 where: bonds (distance) C4'-P energy: -18.170 bonds (distance) P-C4' energy: -17.386 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -14.942 tors. eta vs tors. theta energy: -22.906 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: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -265.727667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.727667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.727667 (E_RNA) where: Base-Base interactions energy: -193.915 where: short stacking energy: -73.218 Base-Backbone interact. energy: -0.350 local terms energy: -71.462523 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -9.372 tors. eta vs tors. theta energy: -20.319 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: 6, replica: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -221.907574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.907574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.907574 (E_RNA) where: Base-Base interactions energy: -151.563 where: short stacking energy: -78.013 Base-Backbone interact. energy: -0.046 local terms energy: -70.298226 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -16.236 flat angles P-C4'-P energy: -9.430 tors. eta vs tors. theta energy: -16.479 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: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -197.456425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.456425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.456425 (E_RNA) where: Base-Base interactions energy: -142.203 where: short stacking energy: -59.094 Base-Backbone interact. energy: 0.066 local terms energy: -55.319677 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.635 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -7.000 tors. eta vs tors. theta energy: -14.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -207.284378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.284378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.284378 (E_RNA) where: Base-Base interactions energy: -144.493 where: short stacking energy: -74.208 Base-Backbone interact. energy: 2.252 local terms energy: -65.043213 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -15.759 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -13.788 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: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -206.476179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.476179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.476179 (E_RNA) where: Base-Base interactions energy: -139.706 where: short stacking energy: -73.516 Base-Backbone interact. energy: -0.000 local terms energy: -66.770269 where: bonds (distance) C4'-P energy: -9.511 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -17.002 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: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -111.447399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.447399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.447399 (E_RNA) where: Base-Base interactions energy: -61.771 where: short stacking energy: -38.492 Base-Backbone interact. energy: 1.174 local terms energy: -50.849753 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -285.029496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.029496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.029496 (E_RNA) where: Base-Base interactions energy: -200.546 where: short stacking energy: -88.920 Base-Backbone interact. energy: 0.006 local terms energy: -84.489451 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -17.216 flat angles C4'-P-C4' energy: -18.538 flat angles P-C4'-P energy: -13.033 tors. eta vs tors. theta energy: -19.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -279.507529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.507529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.507529 (E_RNA) where: Base-Base interactions energy: -197.623 where: short stacking energy: -79.703 Base-Backbone interact. energy: 1.398 local terms energy: -83.282772 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -19.452 flat angles C4'-P-C4' energy: -17.359 flat angles P-C4'-P energy: -13.103 tors. eta vs tors. theta energy: -19.106 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: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -277.759796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.759796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.759796 (E_RNA) where: Base-Base interactions energy: -190.404 where: short stacking energy: -79.257 Base-Backbone interact. energy: -1.605 local terms energy: -85.750565 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -18.667 flat angles C4'-P-C4' energy: -16.943 flat angles P-C4'-P energy: -13.294 tors. eta vs tors. theta energy: -21.544 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: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -276.562559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.562559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.562559 (E_RNA) where: Base-Base interactions energy: -192.899 where: short stacking energy: -87.135 Base-Backbone interact. energy: -0.546 local terms energy: -83.117671 where: bonds (distance) C4'-P energy: -18.994 bonds (distance) P-C4' energy: -16.906 flat angles C4'-P-C4' energy: -15.443 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -21.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -262.739196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.739196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.739196 (E_RNA) where: Base-Base interactions energy: -181.648 where: short stacking energy: -79.651 Base-Backbone interact. energy: -0.036 local terms energy: -81.054716 where: bonds (distance) C4'-P energy: -19.005 bonds (distance) P-C4' energy: -16.351 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -11.004 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -206.592063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.592063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.592063 (E_RNA) where: Base-Base interactions energy: -139.185 where: short stacking energy: -64.176 Base-Backbone interact. energy: -0.298 local terms energy: -67.108778 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -16.352 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -13.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -208.049834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.049834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.049834 (E_RNA) where: Base-Base interactions energy: -141.340 where: short stacking energy: -55.963 Base-Backbone interact. energy: -0.289 local terms energy: -66.421093 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -14.411 flat angles C4'-P-C4' energy: -16.523 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -12.875 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: 3 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -208.751332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.751332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.751332 (E_RNA) where: Base-Base interactions energy: -133.544 where: short stacking energy: -59.495 Base-Backbone interact. energy: -0.512 local terms energy: -74.694801 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -18.658 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -14.346 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: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -209.757930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.757930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.757930 (E_RNA) where: Base-Base interactions energy: -142.873 where: short stacking energy: -72.010 Base-Backbone interact. energy: -0.222 local terms energy: -66.662855 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -15.510 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -15.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -90.448677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.448677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.448677 (E_RNA) where: Base-Base interactions energy: -38.115 where: short stacking energy: -38.115 Base-Backbone interact. energy: -0.749 local terms energy: -51.584768 where: bonds (distance) C4'-P energy: -9.149 bonds (distance) P-C4' energy: -17.914 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -7.734 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: 1, replica: 5 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -286.139501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.139501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.139501 (E_RNA) where: Base-Base interactions energy: -210.077 where: short stacking energy: -88.176 Base-Backbone interact. energy: -0.164 local terms energy: -75.898169 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -19.707 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -20.157 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: 2, replica: 10 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -282.576862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.576862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.576862 (E_RNA) where: Base-Base interactions energy: -203.475 where: short stacking energy: -84.599 Base-Backbone interact. energy: -0.587 local terms energy: -78.515503 where: bonds (distance) C4'-P energy: -18.645 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -12.409 tors. eta vs tors. theta energy: -19.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -277.676361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.676361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.676361 (E_RNA) where: Base-Base interactions energy: -203.316 where: short stacking energy: -87.073 Base-Backbone interact. energy: -0.238 local terms energy: -74.123019 where: bonds (distance) C4'-P energy: -11.956 bonds (distance) P-C4' energy: -18.947 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -19.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -274.271014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.271014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.271014 (E_RNA) where: Base-Base interactions energy: -202.420 where: short stacking energy: -77.939 Base-Backbone interact. energy: -0.305 local terms energy: -71.546441 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -16.774 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -16.924 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: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -267.272882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.272882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.272882 (E_RNA) where: Base-Base interactions energy: -195.165 where: short stacking energy: -77.938 Base-Backbone interact. energy: -1.015 local terms energy: -71.093272 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -16.018 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -17.111 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: 333 Temperature: 1.150000 Total energy: -234.630222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.630222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.630222 (E_RNA) where: Base-Base interactions energy: -159.299 where: short stacking energy: -91.053 Base-Backbone interact. energy: 0.718 local terms energy: -76.048865 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -17.529 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -24.007 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: 4 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -211.124111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.124111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.124111 (E_RNA) where: Base-Base interactions energy: -145.693 where: short stacking energy: -68.930 Base-Backbone interact. energy: -0.014 local terms energy: -65.417004 where: bonds (distance) C4'-P energy: -10.340 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -14.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -199.959260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.959260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.959260 (E_RNA) where: Base-Base interactions energy: -137.792 where: short stacking energy: -57.069 Base-Backbone interact. energy: -0.222 local terms energy: -61.945514 where: bonds (distance) C4'-P energy: -14.414 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -8.641 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: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -197.589644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.589644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.589644 (E_RNA) where: Base-Base interactions energy: -131.676 where: short stacking energy: -68.239 Base-Backbone interact. energy: -0.004 local terms energy: -65.909438 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -13.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -101.528177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.528177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.528177 (E_RNA) where: Base-Base interactions energy: -47.571 where: short stacking energy: -43.023 Base-Backbone interact. energy: -0.105 local terms energy: -53.852121 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -14.948 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -287.684382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.684382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.684382 (E_RNA) where: Base-Base interactions energy: -208.613 where: short stacking energy: -85.523 Base-Backbone interact. energy: -0.387 local terms energy: -78.684726 where: bonds (distance) C4'-P energy: -17.027 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -13.514 tors. eta vs tors. theta energy: -21.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -283.689738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.689738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.689738 (E_RNA) where: Base-Base interactions energy: -209.238 where: short stacking energy: -87.573 Base-Backbone interact. energy: -0.238 local terms energy: -74.214140 where: bonds (distance) C4'-P energy: -14.788 bonds (distance) P-C4' energy: -15.394 flat angles C4'-P-C4' energy: -17.844 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -20.490 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: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -275.046201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.046201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.046201 (E_RNA) where: Base-Base interactions energy: -191.482 where: short stacking energy: -77.753 Base-Backbone interact. energy: -0.083 local terms energy: -83.481161 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -20.048 flat angles P-C4'-P energy: -12.756 tors. eta vs tors. theta energy: -18.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -272.499517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.499517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.499517 (E_RNA) where: Base-Base interactions energy: -194.970 where: short stacking energy: -84.260 Base-Backbone interact. energy: -0.719 local terms energy: -76.810869 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -17.265 flat angles P-C4'-P energy: -10.169 tors. eta vs tors. theta energy: -20.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -268.277913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.277913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.277913 (E_RNA) where: Base-Base interactions energy: -192.830 where: short stacking energy: -77.739 Base-Backbone interact. energy: -1.261 local terms energy: -74.186861 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -16.656 flat angles C4'-P-C4' energy: -15.734 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -23.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -221.660525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.660525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.660525 (E_RNA) where: Base-Base interactions energy: -151.105 where: short stacking energy: -81.651 Base-Backbone interact. energy: -0.427 local terms energy: -70.128151 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -14.676 flat angles C4'-P-C4' energy: -18.846 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -17.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -213.231595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.231595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.231595 (E_RNA) where: Base-Base interactions energy: -145.112 where: short stacking energy: -68.188 Base-Backbone interact. energy: -0.953 local terms energy: -67.166785 where: bonds (distance) C4'-P energy: -15.701 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -8.581 tors. eta vs tors. theta energy: -15.400 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: 3 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -203.136482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.136482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.136482 (E_RNA) where: Base-Base interactions energy: -132.603 where: short stacking energy: -63.429 Base-Backbone interact. energy: -0.003 local terms energy: -70.530954 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -15.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -199.178966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.178966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.178966 (E_RNA) where: Base-Base interactions energy: -145.028 where: short stacking energy: -74.005 Base-Backbone interact. energy: -0.199 local terms energy: -53.951824 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -99.754023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.754023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.754023 (E_RNA) where: Base-Base interactions energy: -52.970 where: short stacking energy: -40.243 Base-Backbone interact. energy: -0.288 local terms energy: -46.496046 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -9.568 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -284.030276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.030276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.030276 (E_RNA) where: Base-Base interactions energy: -197.991 where: short stacking energy: -84.944 Base-Backbone interact. energy: -0.146 local terms energy: -85.893844 where: bonds (distance) C4'-P energy: -18.033 bonds (distance) P-C4' energy: -20.019 flat angles C4'-P-C4' energy: -16.201 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -22.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -281.297606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.297606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.297606 (E_RNA) where: Base-Base interactions energy: -196.494 where: short stacking energy: -83.340 Base-Backbone interact. energy: -0.689 local terms energy: -84.114801 where: bonds (distance) C4'-P energy: -15.914 bonds (distance) P-C4' energy: -16.889 flat angles C4'-P-C4' energy: -15.456 flat angles P-C4'-P energy: -14.518 tors. eta vs tors. theta energy: -21.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -278.775693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.775693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.775693 (E_RNA) where: Base-Base interactions energy: -201.575 where: short stacking energy: -82.449 Base-Backbone interact. energy: -0.745 local terms energy: -76.456183 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -22.806 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: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -270.844197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.844197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.844197 (E_RNA) where: Base-Base interactions energy: -195.279 where: short stacking energy: -80.740 Base-Backbone interact. energy: -0.127 local terms energy: -75.438130 where: bonds (distance) C4'-P energy: -17.164 bonds (distance) P-C4' energy: -17.418 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -19.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -269.028539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.028539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.028539 (E_RNA) where: Base-Base interactions energy: -191.889 where: short stacking energy: -77.368 Base-Backbone interact. energy: -1.435 local terms energy: -75.704959 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -18.920 flat angles C4'-P-C4' energy: -18.943 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -215.180594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.180594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.180594 (E_RNA) where: Base-Base interactions energy: -152.783 where: short stacking energy: -74.385 Base-Backbone interact. energy: -0.003 local terms energy: -62.394727 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -18.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -207.186315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.186315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.186315 (E_RNA) where: Base-Base interactions energy: -145.110 where: short stacking energy: -65.771 Base-Backbone interact. energy: -0.003 local terms energy: -62.073445 where: bonds (distance) C4'-P energy: -9.207 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -16.677 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -17.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -212.342271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.342271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.342271 (E_RNA) where: Base-Base interactions energy: -139.465 where: short stacking energy: -65.518 Base-Backbone interact. energy: 0.446 local terms energy: -73.322932 where: bonds (distance) C4'-P energy: -15.913 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -14.496 tors. eta vs tors. theta energy: -15.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -203.002049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.002049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.002049 (E_RNA) where: Base-Base interactions energy: -133.429 where: short stacking energy: -64.772 Base-Backbone interact. energy: -0.051 local terms energy: -69.522768 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -17.011 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -14.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -86.171568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.171568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.171568 (E_RNA) where: Base-Base interactions energy: -34.931 where: short stacking energy: -25.721 Base-Backbone interact. energy: -0.524 local terms energy: -50.716392 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -14.468 flat angles C4'-P-C4' energy: -16.046 flat angles P-C4'-P energy: -7.229 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: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -281.542866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.542866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.542866 (E_RNA) where: Base-Base interactions energy: -197.136 where: short stacking energy: -82.757 Base-Backbone interact. energy: -0.842 local terms energy: -83.564651 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -16.201 flat angles C4'-P-C4' energy: -16.814 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -21.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -283.705701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.705701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.705701 (E_RNA) where: Base-Base interactions energy: -203.395 where: short stacking energy: -87.065 Base-Backbone interact. energy: -1.326 local terms energy: -78.985358 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -16.449 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -11.593 tors. eta vs tors. theta energy: -20.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -279.815139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.815139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.815139 (E_RNA) where: Base-Base interactions energy: -202.403 where: short stacking energy: -87.580 Base-Backbone interact. energy: -0.105 local terms energy: -77.307139 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -20.288 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -19.545 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: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -275.377875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.377875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.377875 (E_RNA) where: Base-Base interactions energy: -197.806 where: short stacking energy: -78.082 Base-Backbone interact. energy: -0.516 local terms energy: -77.056599 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -16.491 flat angles C4'-P-C4' energy: -16.863 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -21.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -264.830064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.830064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.830064 (E_RNA) where: Base-Base interactions energy: -190.588 where: short stacking energy: -84.463 Base-Backbone interact. energy: -0.044 local terms energy: -74.198750 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -18.320 flat angles C4'-P-C4' energy: -17.338 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -19.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -206.108614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.108614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.108614 (E_RNA) where: Base-Base interactions energy: -133.844 where: short stacking energy: -68.317 Base-Backbone interact. energy: -0.098 local terms energy: -72.166661 where: bonds (distance) C4'-P energy: -17.160 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -17.704 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -16.647 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: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -226.918606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.918606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.918606 (E_RNA) where: Base-Base interactions energy: -150.525 where: short stacking energy: -77.474 Base-Backbone interact. energy: 1.469 local terms energy: -77.862543 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -19.746 flat angles C4'-P-C4' energy: -17.443 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -217.837184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.837184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.837184 (E_RNA) where: Base-Base interactions energy: -149.854 where: short stacking energy: -74.343 Base-Backbone interact. energy: -0.264 local terms energy: -67.719226 where: bonds (distance) C4'-P energy: -15.129 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -202.123182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.123182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.123182 (E_RNA) where: Base-Base interactions energy: -131.616 where: short stacking energy: -65.381 Base-Backbone interact. energy: -0.459 local terms energy: -70.048268 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -16.685 flat angles P-C4'-P energy: -13.175 tors. eta vs tors. theta energy: -14.257 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: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -105.573570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.573570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.573570 (E_RNA) where: Base-Base interactions energy: -55.877 where: short stacking energy: -34.432 Base-Backbone interact. energy: -0.331 local terms energy: -49.364921 where: bonds (distance) C4'-P energy: -17.576 bonds (distance) P-C4' energy: -12.509 flat angles C4'-P-C4' energy: -9.182 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: 0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -283.065159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.065159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.065159 (E_RNA) where: Base-Base interactions energy: -199.456 where: short stacking energy: -87.413 Base-Backbone interact. energy: -0.096 local terms energy: -83.513228 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -19.102 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -13.111 tors. eta vs tors. theta energy: -20.384 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: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -285.958034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.958034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.958034 (E_RNA) where: Base-Base interactions energy: -200.684 where: short stacking energy: -81.443 Base-Backbone interact. energy: -1.484 local terms energy: -83.789612 where: bonds (distance) C4'-P energy: -14.389 bonds (distance) P-C4' energy: -18.259 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -14.617 tors. eta vs tors. theta energy: -20.228 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: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -273.716713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.716713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.716713 (E_RNA) where: Base-Base interactions energy: -195.682 where: short stacking energy: -79.346 Base-Backbone interact. energy: -0.217 local terms energy: -77.817618 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -19.286 flat angles C4'-P-C4' energy: -17.499 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -18.723 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: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -276.036535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.036535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.036535 (E_RNA) where: Base-Base interactions energy: -197.698 where: short stacking energy: -78.485 Base-Backbone interact. energy: -0.720 local terms energy: -77.617894 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -14.862 flat angles C4'-P-C4' energy: -18.624 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -21.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -265.100189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.100189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.100189 (E_RNA) where: Base-Base interactions energy: -185.144 where: short stacking energy: -74.748 Base-Backbone interact. energy: -0.224 local terms energy: -79.732095 where: bonds (distance) C4'-P energy: -17.458 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -11.119 tors. eta vs tors. theta energy: -19.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -218.095702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.095702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.095702 (E_RNA) where: Base-Base interactions energy: -144.697 where: short stacking energy: -69.784 Base-Backbone interact. energy: -0.047 local terms energy: -73.351427 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -14.211 tors. eta vs tors. theta energy: -16.165 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: 4 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -204.975223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.975223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.975223 (E_RNA) where: Base-Base interactions energy: -131.938 where: short stacking energy: -63.960 Base-Backbone interact. energy: -0.034 local terms energy: -73.003018 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -18.980 flat angles P-C4'-P energy: -13.789 tors. eta vs tors. theta energy: -10.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -220.275084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.275084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.275084 (E_RNA) where: Base-Base interactions energy: -155.819 where: short stacking energy: -77.162 Base-Backbone interact. energy: -0.002 local terms energy: -64.454517 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -11.800 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -17.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -194.006248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.006248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.006248 (E_RNA) where: Base-Base interactions energy: -132.709 where: short stacking energy: -60.217 Base-Backbone interact. energy: -0.087 local terms energy: -61.209555 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -16.605 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -12.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -105.467478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.467478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.467478 (E_RNA) where: Base-Base interactions energy: -40.929 where: short stacking energy: -29.217 Base-Backbone interact. energy: -0.026 local terms energy: -64.512729 where: bonds (distance) C4'-P energy: -16.935 bonds (distance) P-C4' energy: -18.016 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -10.151 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: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -286.170858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.170858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.170858 (E_RNA) where: Base-Base interactions energy: -200.633 where: short stacking energy: -80.575 Base-Backbone interact. energy: -0.715 local terms energy: -84.822731 where: bonds (distance) C4'-P energy: -18.265 bonds (distance) P-C4' energy: -18.160 flat angles C4'-P-C4' energy: -19.414 flat angles P-C4'-P energy: -11.700 tors. eta vs tors. theta energy: -17.284 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: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -283.245030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.245030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.245030 (E_RNA) where: Base-Base interactions energy: -200.862 where: short stacking energy: -82.526 Base-Backbone interact. energy: -0.288 local terms energy: -82.095309 where: bonds (distance) C4'-P energy: -18.439 bonds (distance) P-C4' energy: -14.957 flat angles C4'-P-C4' energy: -17.110 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -21.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -280.513448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.513448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.513448 (E_RNA) where: Base-Base interactions energy: -200.940 where: short stacking energy: -83.253 Base-Backbone interact. energy: -1.177 local terms energy: -78.396538 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -14.348 flat angles C4'-P-C4' energy: -16.938 flat angles P-C4'-P energy: -14.109 tors. eta vs tors. theta energy: -21.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -275.251244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.251244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.251244 (E_RNA) where: Base-Base interactions energy: -195.640 where: short stacking energy: -81.490 Base-Backbone interact. energy: 0.813 local terms energy: -80.425032 where: bonds (distance) C4'-P energy: -16.625 bonds (distance) P-C4' energy: -15.916 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -19.872 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: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -218.099672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.099672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.099672 (E_RNA) where: Base-Base interactions energy: -144.744 where: short stacking energy: -70.699 Base-Backbone interact. energy: -0.185 local terms energy: -73.171161 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -19.302 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -16.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -268.145403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.145403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.145403 (E_RNA) where: Base-Base interactions energy: -194.322 where: short stacking energy: -76.076 Base-Backbone interact. energy: -1.228 local terms energy: -72.594904 where: bonds (distance) C4'-P energy: -14.867 bonds (distance) P-C4' energy: -13.566 flat angles C4'-P-C4' energy: -17.433 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -18.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -213.528467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.528467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.528467 (E_RNA) where: Base-Base interactions energy: -142.657 where: short stacking energy: -69.568 Base-Backbone interact. energy: -0.044 local terms energy: -70.827221 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -16.635 flat angles P-C4'-P energy: -12.297 tors. eta vs tors. theta energy: -15.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -205.995626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.995626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.995626 (E_RNA) where: Base-Base interactions energy: -137.068 where: short stacking energy: -74.245 Base-Backbone interact. energy: -0.038 local terms energy: -68.890236 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -15.431 flat angles C4'-P-C4' energy: -16.267 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -18.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -201.152113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.152113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.152113 (E_RNA) where: Base-Base interactions energy: -132.024 where: short stacking energy: -64.225 Base-Backbone interact. energy: -0.008 local terms energy: -69.120104 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -18.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -93.390356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.390356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.390356 (E_RNA) where: Base-Base interactions energy: -38.891 where: short stacking energy: -38.219 Base-Backbone interact. energy: -0.271 local terms energy: -54.229020 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -11.734 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -11.657 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -292.743346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.743346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.743346 (E_RNA) where: Base-Base interactions energy: -206.305 where: short stacking energy: -88.533 Base-Backbone interact. energy: -0.091 local terms energy: -86.346702 where: bonds (distance) C4'-P energy: -17.783 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -19.125 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -21.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -284.108751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.108751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.108751 (E_RNA) where: Base-Base interactions energy: -203.466 where: short stacking energy: -87.725 Base-Backbone interact. energy: -0.911 local terms energy: -79.731435 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -16.841 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -20.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -277.289155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.289155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.289155 (E_RNA) where: Base-Base interactions energy: -196.187 where: short stacking energy: -86.126 Base-Backbone interact. energy: -0.171 local terms energy: -80.931104 where: bonds (distance) C4'-P energy: -15.318 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -18.314 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -20.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -272.545362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.545362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.545362 (E_RNA) where: Base-Base interactions energy: -192.517 where: short stacking energy: -81.790 Base-Backbone interact. energy: -1.240 local terms energy: -78.787943 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -15.823 flat angles C4'-P-C4' energy: -18.244 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -21.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -222.668526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.668526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.668526 (E_RNA) where: Base-Base interactions energy: -151.058 where: short stacking energy: -64.225 Base-Backbone interact. energy: -0.218 local terms energy: -71.392081 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -12.043 tors. eta vs tors. theta energy: -16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -271.887851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.887851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.887851 (E_RNA) where: Base-Base interactions energy: -189.897 where: short stacking energy: -73.333 Base-Backbone interact. energy: -0.957 local terms energy: -81.033938 where: bonds (distance) C4'-P energy: -15.861 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -17.714 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -19.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -202.383540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.383540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.383540 (E_RNA) where: Base-Base interactions energy: -142.069 where: short stacking energy: -69.674 Base-Backbone interact. energy: -0.094 local terms energy: -60.220289 where: bonds (distance) C4'-P energy: -16.871 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -16.825 flat angles P-C4'-P energy: -0.827 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -201.486899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.486899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.486899 (E_RNA) where: Base-Base interactions energy: -127.291 where: short stacking energy: -60.156 Base-Backbone interact. energy: 0.834 local terms energy: -75.030253 where: bonds (distance) C4'-P energy: -18.620 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -14.919 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -190.998716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.998716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.998716 (E_RNA) where: Base-Base interactions energy: -120.491 where: short stacking energy: -55.786 Base-Backbone interact. energy: -0.521 local terms energy: -69.987060 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -16.410 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -97.748064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.748064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.748064 (E_RNA) where: Base-Base interactions energy: -48.212 where: short stacking energy: -46.146 Base-Backbone interact. energy: -0.169 local terms energy: -49.367700 where: bonds (distance) C4'-P energy: -11.605 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -14.530 flat angles P-C4'-P energy: -5.786 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: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -292.712398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.712398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.712398 (E_RNA) where: Base-Base interactions energy: -209.978 where: short stacking energy: -87.754 Base-Backbone interact. energy: -0.617 local terms energy: -82.117757 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -20.403 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -21.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -273.886003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.886003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.886003 (E_RNA) where: Base-Base interactions energy: -195.418 where: short stacking energy: -78.908 Base-Backbone interact. energy: 1.047 local terms energy: -79.514608 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -16.795 flat angles C4'-P-C4' energy: -15.808 flat angles P-C4'-P energy: -12.853 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -272.928176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.928176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.928176 (E_RNA) where: Base-Base interactions energy: -196.195 where: short stacking energy: -74.640 Base-Backbone interact. energy: 0.938 local terms energy: -77.671134 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -17.103 flat angles C4'-P-C4' energy: -19.438 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -269.386114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.386114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.386114 (E_RNA) where: Base-Base interactions energy: -192.101 where: short stacking energy: -86.959 Base-Backbone interact. energy: -0.154 local terms energy: -77.131054 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -17.803 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -19.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -271.543933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.543933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.543933 (E_RNA) where: Base-Base interactions energy: -188.651 where: short stacking energy: -75.924 Base-Backbone interact. energy: -0.021 local terms energy: -82.871277 where: bonds (distance) C4'-P energy: -16.671 bonds (distance) P-C4' energy: -18.468 flat angles C4'-P-C4' energy: -17.006 flat angles P-C4'-P energy: -7.684 tors. eta vs tors. theta energy: -23.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -205.741206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.741206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.741206 (E_RNA) where: Base-Base interactions energy: -137.403 where: short stacking energy: -66.702 Base-Backbone interact. energy: -0.035 local terms energy: -68.302652 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -18.025 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -17.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -217.012375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.012375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.012375 (E_RNA) where: Base-Base interactions energy: -148.480 where: short stacking energy: -72.050 Base-Backbone interact. energy: -0.007 local terms energy: -68.525583 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -17.006 flat angles C4'-P-C4' energy: -17.305 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -15.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -205.409819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.409819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.409819 (E_RNA) where: Base-Base interactions energy: -143.087 where: short stacking energy: -58.184 Base-Backbone interact. energy: -0.226 local terms energy: -62.097246 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -16.993 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: -14.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -200.988541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.988541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.988541 (E_RNA) where: Base-Base interactions energy: -132.316 where: short stacking energy: -57.720 Base-Backbone interact. energy: -0.575 local terms energy: -68.097413 where: bonds (distance) C4'-P energy: -17.147 bonds (distance) P-C4' energy: -18.725 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -123.953309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.953309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.953309 (E_RNA) where: Base-Base interactions energy: -75.230 where: short stacking energy: -31.626 Base-Backbone interact. energy: -0.711 local terms energy: -48.012898 where: bonds (distance) C4'-P energy: -14.477 bonds (distance) P-C4' energy: -12.836 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -9.496 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: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -289.741302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.741302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.741302 (E_RNA) where: Base-Base interactions energy: -209.867 where: short stacking energy: -90.143 Base-Backbone interact. energy: -0.442 local terms energy: -79.432684 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -18.189 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -12.715 tors. eta vs tors. theta energy: -21.930 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: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -277.373044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.373044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.373044 (E_RNA) where: Base-Base interactions energy: -206.548 where: short stacking energy: -81.514 Base-Backbone interact. energy: 0.535 local terms energy: -71.360358 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -18.538 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -16.703 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: 1 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -275.955297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.955297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.955297 (E_RNA) where: Base-Base interactions energy: -196.133 where: short stacking energy: -88.346 Base-Backbone interact. energy: -0.062 local terms energy: -79.759754 where: bonds (distance) C4'-P energy: -16.903 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -19.363 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -17.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -269.231408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.231408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.231408 (E_RNA) where: Base-Base interactions energy: -191.098 where: short stacking energy: -73.937 Base-Backbone interact. energy: -1.730 local terms energy: -76.403544 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -14.664 flat angles P-C4'-P energy: -14.811 tors. eta vs tors. theta energy: -20.521 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: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -267.848732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.848732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.848732 (E_RNA) where: Base-Base interactions energy: -197.423 where: short stacking energy: -86.141 Base-Backbone interact. energy: -1.191 local terms energy: -69.234776 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -216.208169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.208169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.208169 (E_RNA) where: Base-Base interactions energy: -146.357 where: short stacking energy: -76.034 Base-Backbone interact. energy: -0.002 local terms energy: -69.849758 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -16.673 flat angles C4'-P-C4' energy: -12.665 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -214.616172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.616172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.616172 (E_RNA) where: Base-Base interactions energy: -142.868 where: short stacking energy: -70.866 Base-Backbone interact. energy: -0.000 local terms energy: -71.747907 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.719 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -16.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -211.909989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.909989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.909989 (E_RNA) where: Base-Base interactions energy: -141.403 where: short stacking energy: -64.777 Base-Backbone interact. energy: -0.253 local terms energy: -70.254264 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -16.903 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -13.114 tors. eta vs tors. theta energy: -16.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -207.863755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.863755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.863755 (E_RNA) where: Base-Base interactions energy: -144.452 where: short stacking energy: -73.335 Base-Backbone interact. energy: -0.005 local terms energy: -63.406618 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -8.661 flat angles C4'-P-C4' energy: -17.920 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -14.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -96.239534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.239534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.239534 (E_RNA) where: Base-Base interactions energy: -55.075 where: short stacking energy: -34.509 Base-Backbone interact. energy: -0.149 local terms energy: -41.015000 where: bonds (distance) C4'-P energy: -14.763 bonds (distance) P-C4' energy: -15.045 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: 2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -286.978476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.978476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.978476 (E_RNA) where: Base-Base interactions energy: -207.840 where: short stacking energy: -87.107 Base-Backbone interact. energy: -0.099 local terms energy: -79.039934 where: bonds (distance) C4'-P energy: -18.372 bonds (distance) P-C4' energy: -17.428 flat angles C4'-P-C4' energy: -16.903 flat angles P-C4'-P energy: -8.017 tors. eta vs tors. theta energy: -18.320 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: 2 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -282.188369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.188369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.188369 (E_RNA) where: Base-Base interactions energy: -202.759 where: short stacking energy: -82.667 Base-Backbone interact. energy: -0.101 local terms energy: -79.328571 where: bonds (distance) C4'-P energy: -17.813 bonds (distance) P-C4' energy: -17.417 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -19.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -278.248089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.248089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.248089 (E_RNA) where: Base-Base interactions energy: -195.933 where: short stacking energy: -84.450 Base-Backbone interact. energy: -0.636 local terms energy: -81.678298 where: bonds (distance) C4'-P energy: -18.675 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -20.273 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -20.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -276.662000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.662000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.662000 (E_RNA) where: Base-Base interactions energy: -199.995 where: short stacking energy: -87.269 Base-Backbone interact. energy: -0.174 local terms energy: -76.492669 where: bonds (distance) C4'-P energy: -14.855 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -18.359 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -266.809418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.809418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.809418 (E_RNA) where: Base-Base interactions energy: -184.925 where: short stacking energy: -71.596 Base-Backbone interact. energy: -0.683 local terms energy: -81.201422 where: bonds (distance) C4'-P energy: -16.008 bonds (distance) P-C4' energy: -15.063 flat angles C4'-P-C4' energy: -18.649 flat angles P-C4'-P energy: -9.855 tors. eta vs tors. theta energy: -21.625 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: 342 Temperature: 1.150000 Total energy: -216.147769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.147769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.147769 (E_RNA) where: Base-Base interactions energy: -145.831 where: short stacking energy: -61.850 Base-Backbone interact. energy: -0.178 local terms energy: -70.138633 where: bonds (distance) C4'-P energy: -11.496 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -17.813 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -11.671 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: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -199.617891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.617891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.617891 (E_RNA) where: Base-Base interactions energy: -132.853 where: short stacking energy: -65.872 Base-Backbone interact. energy: -0.003 local terms energy: -66.761866 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -18.518 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -13.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -209.167259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.167259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.167259 (E_RNA) where: Base-Base interactions energy: -142.166 where: short stacking energy: -64.568 Base-Backbone interact. energy: -0.143 local terms energy: -66.858625 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -12.093 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -196.725571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.725571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.725571 (E_RNA) where: Base-Base interactions energy: -131.295 where: short stacking energy: -65.871 Base-Backbone interact. energy: 0.017 local terms energy: -65.447340 where: bonds (distance) C4'-P energy: -16.275 bonds (distance) P-C4' energy: -15.676 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -13.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -99.831076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.831076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.831076 (E_RNA) where: Base-Base interactions energy: -54.451 where: short stacking energy: -28.594 Base-Backbone interact. energy: -1.132 local terms energy: -44.248509 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -1.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -288.191686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.191686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.191686 (E_RNA) where: Base-Base interactions energy: -207.007 where: short stacking energy: -87.188 Base-Backbone interact. energy: -1.301 local terms energy: -79.883391 where: bonds (distance) C4'-P energy: -13.271 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -18.315 flat angles P-C4'-P energy: -13.004 tors. eta vs tors. theta energy: -19.473 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: 2 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -283.617222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.617222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.617222 (E_RNA) where: Base-Base interactions energy: -197.712 where: short stacking energy: -85.973 Base-Backbone interact. energy: -0.693 local terms energy: -85.211624 where: bonds (distance) C4'-P energy: -14.995 bonds (distance) P-C4' energy: -17.683 flat angles C4'-P-C4' energy: -18.467 flat angles P-C4'-P energy: -12.214 tors. eta vs tors. theta energy: -21.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -280.214293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.214293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.214293 (E_RNA) where: Base-Base interactions energy: -200.472 where: short stacking energy: -81.994 Base-Backbone interact. energy: -1.733 local terms energy: -78.009411 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -18.097 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -12.342 tors. eta vs tors. theta energy: -18.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -269.733169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.733169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.733169 (E_RNA) where: Base-Base interactions energy: -192.534 where: short stacking energy: -89.900 Base-Backbone interact. energy: 0.555 local terms energy: -77.753927 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -16.951 flat angles C4'-P-C4' energy: -18.877 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -19.801 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: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -271.139790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.139790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.139790 (E_RNA) where: Base-Base interactions energy: -201.737 where: short stacking energy: -81.800 Base-Backbone interact. energy: -0.599 local terms energy: -68.803556 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -17.663 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -16.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -214.566626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.566626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.566626 (E_RNA) where: Base-Base interactions energy: -139.734 where: short stacking energy: -71.838 Base-Backbone interact. energy: -0.043 local terms energy: -74.789016 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -17.508 flat angles C4'-P-C4' energy: -18.378 flat angles P-C4'-P energy: -11.636 tors. eta vs tors. theta energy: -15.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -206.636934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.636934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.636934 (E_RNA) where: Base-Base interactions energy: -146.166 where: short stacking energy: -71.370 Base-Backbone interact. energy: 1.333 local terms energy: -61.804154 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -10.208 tors. eta vs tors. theta energy: -15.057 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: 3 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -191.903754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.903754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.903754 (E_RNA) where: Base-Base interactions energy: -130.876 where: short stacking energy: -55.370 Base-Backbone interact. energy: -0.182 local terms energy: -60.845037 where: bonds (distance) C4'-P energy: -18.017 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -15.827 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -8.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -200.223333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.223333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.223333 (E_RNA) where: Base-Base interactions energy: -133.149 where: short stacking energy: -65.218 Base-Backbone interact. energy: 0.298 local terms energy: -67.371769 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -12.375 flat angles P-C4'-P energy: -8.488 tors. eta vs tors. theta energy: -15.466 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: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -145.530926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.530926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.530926 (E_RNA) where: Base-Base interactions energy: -85.028 where: short stacking energy: -36.821 Base-Backbone interact. energy: -0.160 local terms energy: -60.343281 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -19.725 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -284.641699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.641699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.641699 (E_RNA) where: Base-Base interactions energy: -202.357 where: short stacking energy: -82.088 Base-Backbone interact. energy: -0.374 local terms energy: -81.911255 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -19.964 flat angles C4'-P-C4' energy: -17.293 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -19.905 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: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -276.906962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.906962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.906962 (E_RNA) where: Base-Base interactions energy: -196.294 where: short stacking energy: -82.059 Base-Backbone interact. energy: -2.485 local terms energy: -78.128579 where: bonds (distance) C4'-P energy: -16.162 bonds (distance) P-C4' energy: -15.454 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -19.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -276.852046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.852046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.852046 (E_RNA) where: Base-Base interactions energy: -203.466 where: short stacking energy: -85.491 Base-Backbone interact. energy: -1.952 local terms energy: -71.433293 where: bonds (distance) C4'-P energy: -15.794 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -18.972 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: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -273.793269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.793269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.793269 (E_RNA) where: Base-Base interactions energy: -192.213 where: short stacking energy: -87.658 Base-Backbone interact. energy: -0.103 local terms energy: -81.476792 where: bonds (distance) C4'-P energy: -17.885 bonds (distance) P-C4' energy: -17.692 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -20.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -270.822408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.822408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.822408 (E_RNA) where: Base-Base interactions energy: -193.050 where: short stacking energy: -74.867 Base-Backbone interact. energy: -0.134 local terms energy: -77.638526 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -17.637 flat angles C4'-P-C4' energy: -17.649 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -19.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -207.161320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.161320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.161320 (E_RNA) where: Base-Base interactions energy: -135.255 where: short stacking energy: -76.996 Base-Backbone interact. energy: -0.115 local terms energy: -71.790747 where: bonds (distance) C4'-P energy: -16.101 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -18.486 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: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -205.768757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.768757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.768757 (E_RNA) where: Base-Base interactions energy: -135.829 where: short stacking energy: -58.272 Base-Backbone interact. energy: -1.216 local terms energy: -68.724152 where: bonds (distance) C4'-P energy: -17.388 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -198.438643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.438643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.438643 (E_RNA) where: Base-Base interactions energy: -131.215 where: short stacking energy: -53.503 Base-Backbone interact. energy: 0.763 local terms energy: -67.986181 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -18.128 flat angles P-C4'-P energy: -12.726 tors. eta vs tors. theta energy: -11.953 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: 344 Temperature: 1.300000 Total energy: -204.492572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.492572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.492572 (E_RNA) where: Base-Base interactions energy: -134.000 where: short stacking energy: -65.096 Base-Backbone interact. energy: -0.021 local terms energy: -70.471729 where: bonds (distance) C4'-P energy: -14.087 bonds (distance) P-C4' energy: -13.904 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: -15.081 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: 10, replica: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -118.103992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.103992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.103992 (E_RNA) where: Base-Base interactions energy: -70.481 where: short stacking energy: -30.612 Base-Backbone interact. energy: -0.259 local terms energy: -47.363595 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: 0.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -285.482226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.482226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.482226 (E_RNA) where: Base-Base interactions energy: -204.992 where: short stacking energy: -89.106 Base-Backbone interact. energy: -0.055 local terms energy: -80.435016 where: bonds (distance) C4'-P energy: -15.548 bonds (distance) P-C4' energy: -18.185 flat angles C4'-P-C4' energy: -16.342 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -22.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -287.131317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.131317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.131317 (E_RNA) where: Base-Base interactions energy: -207.374 where: short stacking energy: -88.050 Base-Backbone interact. energy: -0.679 local terms energy: -79.078017 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -17.797 flat angles P-C4'-P energy: -13.625 tors. eta vs tors. theta energy: -20.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -283.706891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.706891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.706891 (E_RNA) where: Base-Base interactions energy: -205.593 where: short stacking energy: -89.863 Base-Backbone interact. energy: -0.050 local terms energy: -78.063620 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -16.379 flat angles P-C4'-P energy: -13.218 tors. eta vs tors. theta energy: -18.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -275.894792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.894792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.894792 (E_RNA) where: Base-Base interactions energy: -198.471 where: short stacking energy: -85.184 Base-Backbone interact. energy: -0.132 local terms energy: -77.291954 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -15.334 flat angles C4'-P-C4' energy: -19.552 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -16.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -277.638117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.638117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.638117 (E_RNA) where: Base-Base interactions energy: -197.772 where: short stacking energy: -85.559 Base-Backbone interact. energy: -0.105 local terms energy: -79.761342 where: bonds (distance) C4'-P energy: -17.524 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -13.044 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -215.291490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.291490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.291490 (E_RNA) where: Base-Base interactions energy: -143.265 where: short stacking energy: -70.238 Base-Backbone interact. energy: -0.014 local terms energy: -72.012762 where: bonds (distance) C4'-P energy: -10.440 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -21.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -205.405735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.405735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.405735 (E_RNA) where: Base-Base interactions energy: -133.275 where: short stacking energy: -65.108 Base-Backbone interact. energy: -0.048 local terms energy: -72.083526 where: bonds (distance) C4'-P energy: -15.018 bonds (distance) P-C4' energy: -17.077 flat angles C4'-P-C4' energy: -18.101 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -11.563 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: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -210.695289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.695289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.695289 (E_RNA) where: Base-Base interactions energy: -140.172 where: short stacking energy: -67.136 Base-Backbone interact. energy: -0.101 local terms energy: -70.422615 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -16.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -194.923253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.923253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.923253 (E_RNA) where: Base-Base interactions energy: -139.790 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.037 local terms energy: -55.096138 where: bonds (distance) C4'-P energy: -10.448 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -11.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -106.086077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.086077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.086077 (E_RNA) where: Base-Base interactions energy: -51.027 where: short stacking energy: -39.157 Base-Backbone interact. energy: 0.201 local terms energy: -55.259389 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -14.676 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -8.102 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: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -289.483131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.483131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.483131 (E_RNA) where: Base-Base interactions energy: -204.474 where: short stacking energy: -90.979 Base-Backbone interact. energy: -0.106 local terms energy: -84.902810 where: bonds (distance) C4'-P energy: -17.557 bonds (distance) P-C4' energy: -17.918 flat angles C4'-P-C4' energy: -17.028 flat angles P-C4'-P energy: -13.791 tors. eta vs tors. theta energy: -18.609 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: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -279.600955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.600955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.600955 (E_RNA) where: Base-Base interactions energy: -200.015 where: short stacking energy: -81.176 Base-Backbone interact. energy: 1.897 local terms energy: -81.483109 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -17.248 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -21.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -277.182955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.182955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.182955 (E_RNA) where: Base-Base interactions energy: -199.092 where: short stacking energy: -90.542 Base-Backbone interact. energy: -0.070 local terms energy: -78.021233 where: bonds (distance) C4'-P energy: -16.684 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -12.113 tors. eta vs tors. theta energy: -18.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -275.379772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.379772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.379772 (E_RNA) where: Base-Base interactions energy: -193.285 where: short stacking energy: -84.768 Base-Backbone interact. energy: -0.611 local terms energy: -81.484156 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -17.713 flat angles C4'-P-C4' energy: -17.158 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -19.410 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: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -265.258481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.258481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.258481 (E_RNA) where: Base-Base interactions energy: -190.113 where: short stacking energy: -76.064 Base-Backbone interact. energy: 1.562 local terms energy: -76.707667 where: bonds (distance) C4'-P energy: -16.622 bonds (distance) P-C4' energy: -19.144 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -16.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -212.346076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.346076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.346076 (E_RNA) where: Base-Base interactions energy: -144.705 where: short stacking energy: -68.450 Base-Backbone interact. energy: -0.002 local terms energy: -67.638189 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -18.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -212.960050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.960050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.960050 (E_RNA) where: Base-Base interactions energy: -153.382 where: short stacking energy: -68.755 Base-Backbone interact. energy: -0.069 local terms energy: -59.509308 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -12.502 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -14.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -206.419070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.419070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.419070 (E_RNA) where: Base-Base interactions energy: -140.733 where: short stacking energy: -62.802 Base-Backbone interact. energy: -0.097 local terms energy: -65.589255 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -16.810 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -8.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -191.185698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.185698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.185698 (E_RNA) where: Base-Base interactions energy: -130.159 where: short stacking energy: -60.586 Base-Backbone interact. energy: -0.131 local terms energy: -60.896203 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -16.293 flat angles P-C4'-P energy: -8.393 tors. eta vs tors. theta energy: -13.032 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: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -134.813934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.813934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.813934 (E_RNA) where: Base-Base interactions energy: -66.748 where: short stacking energy: -46.145 Base-Backbone interact. energy: -0.017 local terms energy: -68.048664 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -10.121 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: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -277.366433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.366433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.366433 (E_RNA) where: Base-Base interactions energy: -194.670 where: short stacking energy: -74.353 Base-Backbone interact. energy: -0.039 local terms energy: -82.657038 where: bonds (distance) C4'-P energy: -16.736 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -19.320 flat angles P-C4'-P energy: -13.006 tors. eta vs tors. theta energy: -17.985 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: 10 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -278.972695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.972695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.972695 (E_RNA) where: Base-Base interactions energy: -197.869 where: short stacking energy: -84.580 Base-Backbone interact. energy: -0.856 local terms energy: -80.247543 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -18.682 flat angles C4'-P-C4' energy: -18.707 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -279.756958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.756958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.756958 (E_RNA) where: Base-Base interactions energy: -198.270 where: short stacking energy: -81.263 Base-Backbone interact. energy: -1.025 local terms energy: -80.461270 where: bonds (distance) C4'-P energy: -18.332 bonds (distance) P-C4' energy: -20.186 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -20.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -272.531285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.531285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.531285 (E_RNA) where: Base-Base interactions energy: -192.234 where: short stacking energy: -80.619 Base-Backbone interact. energy: -1.435 local terms energy: -78.862356 where: bonds (distance) C4'-P energy: -16.419 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -11.213 tors. eta vs tors. theta energy: -18.487 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: 347 Temperature: 1.100000 Total energy: -266.495416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.495416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.495416 (E_RNA) where: Base-Base interactions energy: -191.998 where: short stacking energy: -81.153 Base-Backbone interact. energy: -1.331 local terms energy: -73.167206 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -17.298 flat angles C4'-P-C4' energy: -15.838 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -20.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -206.558600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.558600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.558600 (E_RNA) where: Base-Base interactions energy: -137.345 where: short stacking energy: -65.865 Base-Backbone interact. energy: -0.061 local terms energy: -69.152953 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -19.492 flat angles C4'-P-C4' energy: -15.275 flat angles P-C4'-P energy: -11.811 tors. eta vs tors. theta energy: -9.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -212.317839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.317839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.317839 (E_RNA) where: Base-Base interactions energy: -141.885 where: short stacking energy: -71.440 Base-Backbone interact. energy: -0.060 local terms energy: -70.372439 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -18.639 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -14.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -191.683042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.683042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.683042 (E_RNA) where: Base-Base interactions energy: -126.944 where: short stacking energy: -56.712 Base-Backbone interact. energy: -0.014 local terms energy: -64.725534 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -18.607 flat angles C4'-P-C4' energy: -17.397 flat angles P-C4'-P energy: -10.081 tors. eta vs tors. theta energy: -6.998 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: 347 Temperature: 1.300000 Total energy: -198.234333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.234333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.234333 (E_RNA) where: Base-Base interactions energy: -133.797 where: short stacking energy: -55.127 Base-Backbone interact. energy: -0.022 local terms energy: -64.415230 where: bonds (distance) C4'-P energy: -14.605 bonds (distance) P-C4' energy: -18.426 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -9.914 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: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -129.108368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.108368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.108368 (E_RNA) where: Base-Base interactions energy: -71.839 where: short stacking energy: -34.758 Base-Backbone interact. energy: -1.078 local terms energy: -56.191029 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -9.207 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: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -280.721810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.721810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.721810 (E_RNA) where: Base-Base interactions energy: -198.451 where: short stacking energy: -78.719 Base-Backbone interact. energy: -1.062 local terms energy: -81.208885 where: bonds (distance) C4'-P energy: -17.850 bonds (distance) P-C4' energy: -14.729 flat angles C4'-P-C4' energy: -18.383 flat angles P-C4'-P energy: -12.912 tors. eta vs tors. theta energy: -17.334 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: 348 Temperature: 0.950000 Total energy: -284.170456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.170456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.170456 (E_RNA) where: Base-Base interactions energy: -203.624 where: short stacking energy: -86.354 Base-Backbone interact. energy: -0.558 local terms energy: -79.989011 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -18.162 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -12.736 tors. eta vs tors. theta energy: -18.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -277.128690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.128690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.128690 (E_RNA) where: Base-Base interactions energy: -201.130 where: short stacking energy: -83.850 Base-Backbone interact. energy: -1.951 local terms energy: -74.048252 where: bonds (distance) C4'-P energy: -16.542 bonds (distance) P-C4' energy: -10.047 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -20.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -278.501634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.501634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.501634 (E_RNA) where: Base-Base interactions energy: -197.893 where: short stacking energy: -86.226 Base-Backbone interact. energy: -0.607 local terms energy: -80.001458 where: bonds (distance) C4'-P energy: -17.033 bonds (distance) P-C4' energy: -18.504 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -17.387 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: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -271.496919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.496919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.496919 (E_RNA) where: Base-Base interactions energy: -193.058 where: short stacking energy: -79.465 Base-Backbone interact. energy: -0.220 local terms energy: -78.218568 where: bonds (distance) C4'-P energy: -16.817 bonds (distance) P-C4' energy: -18.404 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -18.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -205.109314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.109314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.109314 (E_RNA) where: Base-Base interactions energy: -141.531 where: short stacking energy: -54.368 Base-Backbone interact. energy: 3.001 local terms energy: -66.579366 where: bonds (distance) C4'-P energy: -16.112 bonds (distance) P-C4' energy: -13.242 flat angles C4'-P-C4' energy: -17.018 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -9.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -202.069482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.069482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.069482 (E_RNA) where: Base-Base interactions energy: -144.328 where: short stacking energy: -65.035 Base-Backbone interact. energy: 0.828 local terms energy: -58.569232 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -192.331918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.331918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.331918 (E_RNA) where: Base-Base interactions energy: -124.984 where: short stacking energy: -52.945 Base-Backbone interact. energy: -0.221 local terms energy: -67.126655 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -184.096913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.096913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.096913 (E_RNA) where: Base-Base interactions energy: -126.743 where: short stacking energy: -53.236 Base-Backbone interact. energy: -0.201 local terms energy: -57.152364 where: bonds (distance) C4'-P energy: -16.906 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: -9.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -133.375766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.375766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.375766 (E_RNA) where: Base-Base interactions energy: -73.059 where: short stacking energy: -31.004 Base-Backbone interact. energy: -0.585 local terms energy: -59.732388 where: bonds (distance) C4'-P energy: -18.322 bonds (distance) P-C4' energy: -17.908 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -11.495 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: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -284.214809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.214809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.214809 (E_RNA) where: Base-Base interactions energy: -205.069 where: short stacking energy: -88.555 Base-Backbone interact. energy: 0.871 local terms energy: -80.017325 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -17.455 flat angles C4'-P-C4' energy: -18.115 flat angles P-C4'-P energy: -13.138 tors. eta vs tors. theta energy: -17.466 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: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -282.796273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.796273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.796273 (E_RNA) where: Base-Base interactions energy: -203.792 where: short stacking energy: -88.573 Base-Backbone interact. energy: -0.091 local terms energy: -78.913249 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -17.728 flat angles C4'-P-C4' energy: -19.467 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -18.058 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: 349 Temperature: 1.000000 Total energy: -276.249847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.249847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.249847 (E_RNA) where: Base-Base interactions energy: -198.683 where: short stacking energy: -85.742 Base-Backbone interact. energy: -0.209 local terms energy: -77.358293 where: bonds (distance) C4'-P energy: -18.195 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -18.552 flat angles P-C4'-P energy: -8.161 tors. eta vs tors. theta energy: -17.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -270.221552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.221552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.221552 (E_RNA) where: Base-Base interactions energy: -196.287 where: short stacking energy: -83.211 Base-Backbone interact. energy: -2.181 local terms energy: -71.753252 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -22.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -265.710291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.710291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.710291 (E_RNA) where: Base-Base interactions energy: -192.955 where: short stacking energy: -89.835 Base-Backbone interact. energy: -0.387 local terms energy: -72.367970 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -19.364 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: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -209.268606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.268606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.268606 (E_RNA) where: Base-Base interactions energy: -132.320 where: short stacking energy: -62.380 Base-Backbone interact. energy: -0.157 local terms energy: -76.792195 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -16.806 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -16.289 tors. eta vs tors. theta energy: -12.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -201.828740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.828740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.828740 (E_RNA) where: Base-Base interactions energy: -139.345 where: short stacking energy: -63.697 Base-Backbone interact. energy: -0.276 local terms energy: -62.207707 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -11.465 flat angles P-C4'-P energy: -12.536 tors. eta vs tors. theta energy: -10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -210.744864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.744864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.744864 (E_RNA) where: Base-Base interactions energy: -143.910 where: short stacking energy: -64.852 Base-Backbone interact. energy: -0.488 local terms energy: -66.346821 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -13.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -191.687257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.687257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.687257 (E_RNA) where: Base-Base interactions energy: -127.684 where: short stacking energy: -61.905 Base-Backbone interact. energy: -0.034 local terms energy: -63.969650 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -93.902204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.902204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.902204 (E_RNA) where: Base-Base interactions energy: -46.044 where: short stacking energy: -35.006 Base-Backbone interact. energy: -0.197 local terms energy: -47.660471 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -16.473 flat angles C4'-P-C4' energy: -9.509 flat angles P-C4'-P energy: -2.724 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: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -285.699442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.699442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.699442 (E_RNA) where: Base-Base interactions energy: -204.678 where: short stacking energy: -86.307 Base-Backbone interact. energy: 1.799 local terms energy: -82.820168 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -16.329 flat angles C4'-P-C4' energy: -18.615 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -18.499 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: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -285.481158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.481158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.481158 (E_RNA) where: Base-Base interactions energy: -204.510 where: short stacking energy: -91.946 Base-Backbone interact. energy: 0.261 local terms energy: -81.231952 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -17.942 flat angles C4'-P-C4' energy: -18.897 flat angles P-C4'-P energy: -11.290 tors. eta vs tors. theta energy: -20.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -272.769943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.769943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.769943 (E_RNA) where: Base-Base interactions energy: -197.959 where: short stacking energy: -88.086 Base-Backbone interact. energy: -0.147 local terms energy: -74.664033 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -19.244 flat angles P-C4'-P energy: -11.082 tors. eta vs tors. theta energy: -16.648 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: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -276.046456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.046456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.046456 (E_RNA) where: Base-Base interactions energy: -202.414 where: short stacking energy: -85.914 Base-Backbone interact. energy: -0.094 local terms energy: -73.538424 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -17.130 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -18.847 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: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -265.128386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.128386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.128386 (E_RNA) where: Base-Base interactions energy: -191.877 where: short stacking energy: -84.029 Base-Backbone interact. energy: -0.104 local terms energy: -73.147439 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -15.002 flat angles C4'-P-C4' energy: -16.197 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -18.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -214.948719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.948719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.948719 (E_RNA) where: Base-Base interactions energy: -148.055 where: short stacking energy: -77.581 Base-Backbone interact. energy: -0.603 local terms energy: -66.290578 where: bonds (distance) C4'-P energy: -15.900 bonds (distance) P-C4' energy: -13.840 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -13.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -228.693149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.693149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.693149 (E_RNA) where: Base-Base interactions energy: -155.852 where: short stacking energy: -81.916 Base-Backbone interact. energy: 0.048 local terms energy: -72.889214 where: bonds (distance) C4'-P energy: -11.028 bonds (distance) P-C4' energy: -15.282 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -13.018 tors. eta vs tors. theta energy: -18.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -194.448799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.448799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.448799 (E_RNA) where: Base-Base interactions energy: -122.106 where: short stacking energy: -56.811 Base-Backbone interact. energy: -0.279 local terms energy: -72.063884 where: bonds (distance) C4'-P energy: -19.900 bonds (distance) P-C4' energy: -16.628 flat angles C4'-P-C4' energy: -16.708 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -8.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -200.060331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.060331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.060331 (E_RNA) where: Base-Base interactions energy: -142.063 where: short stacking energy: -60.315 Base-Backbone interact. energy: -0.251 local terms energy: -57.746315 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -11.161 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -12.683 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: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -127.768834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.768834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.768834 (E_RNA) where: Base-Base interactions energy: -75.337 where: short stacking energy: -33.239 Base-Backbone interact. energy: -0.556 local terms energy: -51.875242 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -13.576 flat angles C4'-P-C4' energy: -18.748 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -0.315 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: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -283.688247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.688247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.688247 (E_RNA) where: Base-Base interactions energy: -202.730 where: short stacking energy: -85.204 Base-Backbone interact. energy: -0.894 local terms energy: -80.063825 where: bonds (distance) C4'-P energy: -15.635 bonds (distance) P-C4' energy: -16.240 flat angles C4'-P-C4' energy: -16.856 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -19.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -280.284558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.284558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.284558 (E_RNA) where: Base-Base interactions energy: -196.252 where: short stacking energy: -86.346 Base-Backbone interact. energy: 0.410 local terms energy: -84.442992 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -18.669 flat angles C4'-P-C4' energy: -19.541 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -22.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -271.303497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.303497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.303497 (E_RNA) where: Base-Base interactions energy: -192.631 where: short stacking energy: -84.714 Base-Backbone interact. energy: -0.041 local terms energy: -78.632020 where: bonds (distance) C4'-P energy: -16.853 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -17.821 flat angles P-C4'-P energy: -9.824 tors. eta vs tors. theta energy: -19.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -279.690326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.690326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.690326 (E_RNA) where: Base-Base interactions energy: -194.559 where: short stacking energy: -85.952 Base-Backbone interact. energy: -0.098 local terms energy: -85.033153 where: bonds (distance) C4'-P energy: -17.586 bonds (distance) P-C4' energy: -17.414 flat angles C4'-P-C4' energy: -19.509 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -20.731 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: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -268.930386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.930386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.930386 (E_RNA) where: Base-Base interactions energy: -192.054 where: short stacking energy: -79.688 Base-Backbone interact. energy: -0.770 local terms energy: -76.106215 where: bonds (distance) C4'-P energy: -15.902 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -11.839 tors. eta vs tors. theta energy: -19.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -241.052465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.052465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.052465 (E_RNA) where: Base-Base interactions energy: -165.595 where: short stacking energy: -73.746 Base-Backbone interact. energy: -0.068 local terms energy: -75.388767 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -15.031 flat angles C4'-P-C4' energy: -19.755 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -16.512 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: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -208.426427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.426427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.426427 (E_RNA) where: Base-Base interactions energy: -147.989 where: short stacking energy: -73.824 Base-Backbone interact. energy: -0.445 local terms energy: -59.992875 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -10.094 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -13.223 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: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -207.314216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.314216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.314216 (E_RNA) where: Base-Base interactions energy: -129.138 where: short stacking energy: -71.801 Base-Backbone interact. energy: -0.008 local terms energy: -78.168163 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -17.602 flat angles P-C4'-P energy: -14.717 tors. eta vs tors. theta energy: -18.166 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: 9, replica: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -212.821685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.821685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.821685 (E_RNA) where: Base-Base interactions energy: -151.923 where: short stacking energy: -56.588 Base-Backbone interact. energy: 0.175 local terms energy: -61.073104 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -11.354 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: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -133.573175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.573175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.573175 (E_RNA) where: Base-Base interactions energy: -86.373 where: short stacking energy: -47.105 Base-Backbone interact. energy: -0.348 local terms energy: -46.852171 where: bonds (distance) C4'-P energy: -7.538 bonds (distance) P-C4' energy: -9.661 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -290.345505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.345505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.345505 (E_RNA) where: Base-Base interactions energy: -210.323 where: short stacking energy: -86.355 Base-Backbone interact. energy: -0.315 local terms energy: -79.708191 where: bonds (distance) C4'-P energy: -16.825 bonds (distance) P-C4' energy: -15.814 flat angles C4'-P-C4' energy: -17.814 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -19.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -280.436827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.436827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.436827 (E_RNA) where: Base-Base interactions energy: -197.055 where: short stacking energy: -81.490 Base-Backbone interact. energy: -0.794 local terms energy: -82.587951 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -17.719 flat angles C4'-P-C4' energy: -17.873 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: -19.398 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: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -282.660013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.660013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.660013 (E_RNA) where: Base-Base interactions energy: -195.897 where: short stacking energy: -80.411 Base-Backbone interact. energy: 0.822 local terms energy: -87.585107 where: bonds (distance) C4'-P energy: -18.091 bonds (distance) P-C4' energy: -17.930 flat angles C4'-P-C4' energy: -18.935 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -20.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -273.759068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.759068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.759068 (E_RNA) where: Base-Base interactions energy: -194.688 where: short stacking energy: -83.315 Base-Backbone interact. energy: -0.658 local terms energy: -78.412479 where: bonds (distance) C4'-P energy: -18.025 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -18.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -267.470696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.470696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.470696 (E_RNA) where: Base-Base interactions energy: -189.260 where: short stacking energy: -70.746 Base-Backbone interact. energy: -0.235 local terms energy: -77.975697 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -18.600 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -19.502 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: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -240.726275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.726275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.726275 (E_RNA) where: Base-Base interactions energy: -166.672 where: short stacking energy: -69.389 Base-Backbone interact. energy: -0.316 local terms energy: -73.737393 where: bonds (distance) C4'-P energy: -9.270 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -16.490 flat angles P-C4'-P energy: -12.252 tors. eta vs tors. theta energy: -18.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -212.338223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.338223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.338223 (E_RNA) where: Base-Base interactions energy: -145.388 where: short stacking energy: -67.100 Base-Backbone interact. energy: 0.541 local terms energy: -67.490957 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -15.729 flat angles C4'-P-C4' energy: -17.037 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -15.243 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: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -205.777090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.777090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.777090 (E_RNA) where: Base-Base interactions energy: -133.789 where: short stacking energy: -66.183 Base-Backbone interact. energy: -0.299 local terms energy: -71.689524 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -19.517 flat angles C4'-P-C4' energy: -15.537 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -229.659739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.659739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.659739 (E_RNA) where: Base-Base interactions energy: -158.545 where: short stacking energy: -68.231 Base-Backbone interact. energy: -0.322 local terms energy: -70.792799 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -11.595 tors. eta vs tors. theta energy: -15.001 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: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -103.912034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.912034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.912034 (E_RNA) where: Base-Base interactions energy: -59.704 where: short stacking energy: -30.852 Base-Backbone interact. energy: -0.517 local terms energy: -43.691127 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -9.627 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: 1, replica: 1 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -295.891052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.891052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.891052 (E_RNA) where: Base-Base interactions energy: -207.110 where: short stacking energy: -87.334 Base-Backbone interact. energy: -0.885 local terms energy: -87.896187 where: bonds (distance) C4'-P energy: -18.753 bonds (distance) P-C4' energy: -17.507 flat angles C4'-P-C4' energy: -16.538 flat angles P-C4'-P energy: -14.434 tors. eta vs tors. theta energy: -20.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -285.059117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.059117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.059117 (E_RNA) where: Base-Base interactions energy: -203.956 where: short stacking energy: -85.751 Base-Backbone interact. energy: -1.040 local terms energy: -80.063542 where: bonds (distance) C4'-P energy: -17.532 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -17.719 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -20.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -276.299151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.299151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.299151 (E_RNA) where: Base-Base interactions energy: -193.696 where: short stacking energy: -86.158 Base-Backbone interact. energy: -1.482 local terms energy: -81.120775 where: bonds (distance) C4'-P energy: -17.271 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -15.781 flat angles P-C4'-P energy: -12.906 tors. eta vs tors. theta energy: -21.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -275.640365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.640365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.640365 (E_RNA) where: Base-Base interactions energy: -189.635 where: short stacking energy: -76.942 Base-Backbone interact. energy: 1.085 local terms energy: -87.090187 where: bonds (distance) C4'-P energy: -16.775 bonds (distance) P-C4' energy: -19.126 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -12.902 tors. eta vs tors. theta energy: -21.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -262.248633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.248633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.248633 (E_RNA) where: Base-Base interactions energy: -183.314 where: short stacking energy: -76.171 Base-Backbone interact. energy: 0.801 local terms energy: -79.734796 where: bonds (distance) C4'-P energy: -16.030 bonds (distance) P-C4' energy: -19.232 flat angles C4'-P-C4' energy: -18.024 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -20.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -207.998859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.998859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.998859 (E_RNA) where: Base-Base interactions energy: -139.816 where: short stacking energy: -60.453 Base-Backbone interact. energy: -0.176 local terms energy: -68.007000 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -17.187 flat angles C4'-P-C4' energy: -11.865 flat angles P-C4'-P energy: -13.930 tors. eta vs tors. theta energy: -8.562 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: 353 Temperature: 1.200000 Total energy: -233.102661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.102661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.102661 (E_RNA) where: Base-Base interactions energy: -166.528 where: short stacking energy: -75.706 Base-Backbone interact. energy: -0.240 local terms energy: -66.334859 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -14.919 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -15.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -200.281098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.281098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.281098 (E_RNA) where: Base-Base interactions energy: -129.983 where: short stacking energy: -64.000 Base-Backbone interact. energy: 0.271 local terms energy: -70.569115 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -18.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -194.024038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.024038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.024038 (E_RNA) where: Base-Base interactions energy: -133.279 where: short stacking energy: -55.115 Base-Backbone interact. energy: 0.478 local terms energy: -61.222754 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -18.773 flat angles C4'-P-C4' energy: -11.762 flat angles P-C4'-P energy: -11.441 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -90.561593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.561593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.561593 (E_RNA) where: Base-Base interactions energy: -44.430 where: short stacking energy: -38.299 Base-Backbone interact. energy: -0.923 local terms energy: -45.209032 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -7.765 tors. eta vs tors. theta energy: -1.157 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: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -285.200539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.200539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.200539 (E_RNA) where: Base-Base interactions energy: -204.633 where: short stacking energy: -87.116 Base-Backbone interact. energy: -0.217 local terms energy: -80.350942 where: bonds (distance) C4'-P energy: -16.777 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -14.758 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -21.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -281.134641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.134641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.134641 (E_RNA) where: Base-Base interactions energy: -204.435 where: short stacking energy: -82.637 Base-Backbone interact. energy: -1.339 local terms energy: -75.360388 where: bonds (distance) C4'-P energy: -14.638 bonds (distance) P-C4' energy: -15.201 flat angles C4'-P-C4' energy: -16.496 flat angles P-C4'-P energy: -10.696 tors. eta vs tors. theta energy: -18.328 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: 354 Temperature: 1.000000 Total energy: -284.841287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.841287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.841287 (E_RNA) where: Base-Base interactions energy: -202.641 where: short stacking energy: -88.924 Base-Backbone interact. energy: -0.487 local terms energy: -81.713572 where: bonds (distance) C4'-P energy: -16.762 bonds (distance) P-C4' energy: -16.014 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -10.535 tors. eta vs tors. theta energy: -22.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -273.921757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.921757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.921757 (E_RNA) where: Base-Base interactions energy: -194.271 where: short stacking energy: -84.866 Base-Backbone interact. energy: -0.216 local terms energy: -79.434672 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -12.834 tors. eta vs tors. theta energy: -21.362 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: 5, replica: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -268.485081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.485081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.485081 (E_RNA) where: Base-Base interactions energy: -193.922 where: short stacking energy: -82.703 Base-Backbone interact. energy: -0.121 local terms energy: -74.441693 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -13.140 flat angles C4'-P-C4' energy: -18.262 flat angles P-C4'-P energy: -13.418 tors. eta vs tors. theta energy: -17.893 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: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -210.217990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.217990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.217990 (E_RNA) where: Base-Base interactions energy: -137.533 where: short stacking energy: -67.655 Base-Backbone interact. energy: -0.121 local terms energy: -72.563314 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -17.961 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -17.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -217.867605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.867605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.867605 (E_RNA) where: Base-Base interactions energy: -146.863 where: short stacking energy: -73.716 Base-Backbone interact. energy: -0.003 local terms energy: -71.001296 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -12.976 tors. eta vs tors. theta energy: -19.398 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: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -208.346503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.346503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.346503 (E_RNA) where: Base-Base interactions energy: -134.552 where: short stacking energy: -62.310 Base-Backbone interact. energy: -0.092 local terms energy: -73.702317 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -18.062 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -11.129 tors. eta vs tors. theta energy: -16.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -201.062344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.062344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.062344 (E_RNA) where: Base-Base interactions energy: -135.756 where: short stacking energy: -62.218 Base-Backbone interact. energy: -0.078 local terms energy: -65.227583 where: bonds (distance) C4'-P energy: -17.496 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -18.285 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -12.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -99.849471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.849471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.849471 (E_RNA) where: Base-Base interactions energy: -48.077 where: short stacking energy: -26.272 Base-Backbone interact. energy: -0.341 local terms energy: -51.431407 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -17.342 flat angles P-C4'-P energy: -11.135 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: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -278.295450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.295450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.295450 (E_RNA) where: Base-Base interactions energy: -194.919 where: short stacking energy: -77.796 Base-Backbone interact. energy: -0.323 local terms energy: -83.053652 where: bonds (distance) C4'-P energy: -15.954 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -18.191 flat angles P-C4'-P energy: -13.518 tors. eta vs tors. theta energy: -18.803 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: 2, replica: 10 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -282.132620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.132620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.132620 (E_RNA) where: Base-Base interactions energy: -202.062 where: short stacking energy: -84.962 Base-Backbone interact. energy: -0.726 local terms energy: -79.344362 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -16.024 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: -21.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -281.101799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.101799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.101799 (E_RNA) where: Base-Base interactions energy: -201.432 where: short stacking energy: -76.578 Base-Backbone interact. energy: -1.740 local terms energy: -77.929817 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -17.194 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -20.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -265.481548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.481548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.481548 (E_RNA) where: Base-Base interactions energy: -183.672 where: short stacking energy: -82.548 Base-Backbone interact. energy: -0.495 local terms energy: -81.314348 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -16.555 flat angles C4'-P-C4' energy: -18.478 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -19.472 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: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -270.740872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.740872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.740872 (E_RNA) where: Base-Base interactions energy: -191.698 where: short stacking energy: -84.770 Base-Backbone interact. energy: -0.361 local terms energy: -78.682526 where: bonds (distance) C4'-P energy: -16.589 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -11.962 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -221.529535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.529535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.529535 (E_RNA) where: Base-Base interactions energy: -148.471 where: short stacking energy: -72.141 Base-Backbone interact. energy: -0.033 local terms energy: -73.025291 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -15.381 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -14.428 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: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -206.025452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.025452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.025452 (E_RNA) where: Base-Base interactions energy: -140.035 where: short stacking energy: -64.779 Base-Backbone interact. energy: -0.541 local terms energy: -65.449049 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -15.540 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: 355 Temperature: 1.250000 Total energy: -206.445957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.445957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.445957 (E_RNA) where: Base-Base interactions energy: -139.522 where: short stacking energy: -68.250 Base-Backbone interact. energy: -0.132 local terms energy: -66.791074 where: bonds (distance) C4'-P energy: -13.822 bonds (distance) P-C4' energy: -12.302 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -195.350330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.350330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.350330 (E_RNA) where: Base-Base interactions energy: -136.840 where: short stacking energy: -68.110 Base-Backbone interact. energy: 0.474 local terms energy: -58.984905 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -15.990 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -15.034 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: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -104.864285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.864285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.864285 (E_RNA) where: Base-Base interactions energy: -51.340 where: short stacking energy: -35.086 Base-Backbone interact. energy: -0.059 local terms energy: -53.464708 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -10.288 flat angles C4'-P-C4' energy: -19.956 flat angles P-C4'-P energy: -7.944 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: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -293.101045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.101045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.101045 (E_RNA) where: Base-Base interactions energy: -207.040 where: short stacking energy: -86.851 Base-Backbone interact. energy: -1.582 local terms energy: -84.479682 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -18.237 flat angles C4'-P-C4' energy: -17.895 flat angles P-C4'-P energy: -12.223 tors. eta vs tors. theta energy: -20.053 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: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -276.650083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.650083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.650083 (E_RNA) where: Base-Base interactions energy: -196.507 where: short stacking energy: -76.859 Base-Backbone interact. energy: -1.305 local terms energy: -78.837928 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -17.667 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -19.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -280.042123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.042123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.042123 (E_RNA) where: Base-Base interactions energy: -210.181 where: short stacking energy: -87.341 Base-Backbone interact. energy: 0.660 local terms energy: -70.521081 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -16.473 flat angles C4'-P-C4' energy: -17.923 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -17.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -271.483790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.483790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.483790 (E_RNA) where: Base-Base interactions energy: -194.841 where: short stacking energy: -91.463 Base-Backbone interact. energy: -0.095 local terms energy: -76.547969 where: bonds (distance) C4'-P energy: -15.255 bonds (distance) P-C4' energy: -18.981 flat angles C4'-P-C4' energy: -14.817 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -278.536108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.536108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.536108 (E_RNA) where: Base-Base interactions energy: -196.103 where: short stacking energy: -85.800 Base-Backbone interact. energy: 0.289 local terms energy: -82.722489 where: bonds (distance) C4'-P energy: -17.056 bonds (distance) P-C4' energy: -18.414 flat angles C4'-P-C4' energy: -18.284 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -18.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -220.895649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.895649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.895649 (E_RNA) where: Base-Base interactions energy: -144.560 where: short stacking energy: -70.723 Base-Backbone interact. energy: -0.019 local terms energy: -76.317031 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -18.591 flat angles C4'-P-C4' energy: -17.910 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -213.233549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.233549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.233549 (E_RNA) where: Base-Base interactions energy: -136.784 where: short stacking energy: -60.961 Base-Backbone interact. energy: -0.190 local terms energy: -76.259752 where: bonds (distance) C4'-P energy: -16.857 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -16.329 flat angles P-C4'-P energy: -11.947 tors. eta vs tors. theta energy: -15.580 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: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -204.925131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.925131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.925131 (E_RNA) where: Base-Base interactions energy: -134.312 where: short stacking energy: -68.369 Base-Backbone interact. energy: -0.110 local terms energy: -70.503184 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -15.977 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -15.063 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: 356 Temperature: 1.300000 Total energy: -199.164370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.164370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.164370 (E_RNA) where: Base-Base interactions energy: -138.210 where: short stacking energy: -62.709 Base-Backbone interact. energy: -0.150 local terms energy: -60.804647 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -99.467850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.467850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.467850 (E_RNA) where: Base-Base interactions energy: -49.630 where: short stacking energy: -41.799 Base-Backbone interact. energy: -0.470 local terms energy: -49.367271 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -18.840 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -285.897658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.897658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.897658 (E_RNA) where: Base-Base interactions energy: -199.746 where: short stacking energy: -88.363 Base-Backbone interact. energy: -1.761 local terms energy: -84.390819 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -19.620 flat angles C4'-P-C4' energy: -17.569 flat angles P-C4'-P energy: -15.387 tors. eta vs tors. theta energy: -17.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -278.127181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.127181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.127181 (E_RNA) where: Base-Base interactions energy: -199.756 where: short stacking energy: -87.586 Base-Backbone interact. energy: -0.586 local terms energy: -77.785065 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -18.231 flat angles P-C4'-P energy: -11.046 tors. eta vs tors. theta energy: -20.188 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: 1 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -279.222606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.222606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.222606 (E_RNA) where: Base-Base interactions energy: -203.333 where: short stacking energy: -85.127 Base-Backbone interact. energy: -0.653 local terms energy: -75.237013 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -10.646 tors. eta vs tors. theta energy: -21.049 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: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -272.836061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.836061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.836061 (E_RNA) where: Base-Base interactions energy: -191.050 where: short stacking energy: -71.763 Base-Backbone interact. energy: -0.173 local terms energy: -81.613588 where: bonds (distance) C4'-P energy: -16.410 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -16.852 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -19.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -269.568572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.568572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.568572 (E_RNA) where: Base-Base interactions energy: -190.470 where: short stacking energy: -78.021 Base-Backbone interact. energy: 0.009 local terms energy: -79.108142 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -17.477 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -21.344 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: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -210.781199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.781199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.781199 (E_RNA) where: Base-Base interactions energy: -142.077 where: short stacking energy: -65.876 Base-Backbone interact. energy: -0.128 local terms energy: -68.576463 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -16.242 flat angles C4'-P-C4' energy: -15.522 flat angles P-C4'-P energy: -13.506 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -211.393793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.393793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.393793 (E_RNA) where: Base-Base interactions energy: -145.636 where: short stacking energy: -73.664 Base-Backbone interact. energy: 0.052 local terms energy: -65.809666 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -201.181721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.181721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.181721 (E_RNA) where: Base-Base interactions energy: -125.925 where: short stacking energy: -61.167 Base-Backbone interact. energy: -0.296 local terms energy: -74.959952 where: bonds (distance) C4'-P energy: -16.368 bonds (distance) P-C4' energy: -18.462 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -13.995 tors. eta vs tors. theta energy: -12.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -191.810506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.810506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.810506 (E_RNA) where: Base-Base interactions energy: -121.825 where: short stacking energy: -47.273 Base-Backbone interact. energy: 1.967 local terms energy: -71.952947 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -16.194 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -11.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -102.943850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.943850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.943850 (E_RNA) where: Base-Base interactions energy: -41.804 where: short stacking energy: -39.242 Base-Backbone interact. energy: -0.091 local terms energy: -61.048651 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -16.259 flat angles P-C4'-P energy: -10.383 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: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -288.157142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.157142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.157142 (E_RNA) where: Base-Base interactions energy: -200.853 where: short stacking energy: -82.731 Base-Backbone interact. energy: -0.520 local terms energy: -86.784858 where: bonds (distance) C4'-P energy: -17.226 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -17.001 flat angles P-C4'-P energy: -13.901 tors. eta vs tors. theta energy: -21.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -287.165114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.165114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.165114 (E_RNA) where: Base-Base interactions energy: -202.595 where: short stacking energy: -86.646 Base-Backbone interact. energy: -0.836 local terms energy: -83.733607 where: bonds (distance) C4'-P energy: -17.925 bonds (distance) P-C4' energy: -16.977 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -12.778 tors. eta vs tors. theta energy: -21.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -274.115015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.115015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.115015 (E_RNA) where: Base-Base interactions energy: -204.722 where: short stacking energy: -83.104 Base-Backbone interact. energy: -0.182 local terms energy: -69.211641 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -19.063 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -18.733 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: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -269.466748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.466748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.466748 (E_RNA) where: Base-Base interactions energy: -187.938 where: short stacking energy: -73.906 Base-Backbone interact. energy: 0.362 local terms energy: -81.891151 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -18.166 flat angles C4'-P-C4' energy: -17.081 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -18.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -252.097993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.097993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.097993 (E_RNA) where: Base-Base interactions energy: -183.363 where: short stacking energy: -83.326 Base-Backbone interact. energy: -0.010 local terms energy: -68.725558 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -271.820131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.820131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.820131 (E_RNA) where: Base-Base interactions energy: -194.008 where: short stacking energy: -80.868 Base-Backbone interact. energy: -0.630 local terms energy: -77.182598 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -17.944 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -18.857 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: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -216.219594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.219594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.219594 (E_RNA) where: Base-Base interactions energy: -147.993 where: short stacking energy: -75.211 Base-Backbone interact. energy: -0.075 local terms energy: -68.151616 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -16.447 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -15.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -212.277656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.277656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.277656 (E_RNA) where: Base-Base interactions energy: -144.312 where: short stacking energy: -59.182 Base-Backbone interact. energy: 1.454 local terms energy: -69.420410 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -10.291 tors. eta vs tors. theta energy: -16.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -124.607039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.607039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.607039 (E_RNA) where: Base-Base interactions energy: -60.419 where: short stacking energy: -48.982 Base-Backbone interact. energy: 1.638 local terms energy: -65.826544 where: bonds (distance) C4'-P energy: -12.063 bonds (distance) P-C4' energy: -18.419 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -9.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -186.593677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.593677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.593677 (E_RNA) where: Base-Base interactions energy: -122.284 where: short stacking energy: -44.895 Base-Backbone interact. energy: -0.103 local terms energy: -64.206075 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -12.834 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -287.366809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.366809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.366809 (E_RNA) where: Base-Base interactions energy: -204.540 where: short stacking energy: -88.078 Base-Backbone interact. energy: 0.412 local terms energy: -83.238976 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -18.262 flat angles C4'-P-C4' energy: -18.279 flat angles P-C4'-P energy: -11.946 tors. eta vs tors. theta energy: -19.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -281.726703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.726703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.726703 (E_RNA) where: Base-Base interactions energy: -197.125 where: short stacking energy: -78.254 Base-Backbone interact. energy: -0.087 local terms energy: -84.515268 where: bonds (distance) C4'-P energy: -17.343 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -17.664 flat angles P-C4'-P energy: -14.003 tors. eta vs tors. theta energy: -19.354 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: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -285.973617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.973617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.973617 (E_RNA) where: Base-Base interactions energy: -203.307 where: short stacking energy: -84.629 Base-Backbone interact. energy: -0.120 local terms energy: -82.545689 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -18.706 flat angles C4'-P-C4' energy: -16.945 flat angles P-C4'-P energy: -12.017 tors. eta vs tors. theta energy: -18.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -278.939154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.939154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.939154 (E_RNA) where: Base-Base interactions energy: -198.217 where: short stacking energy: -82.524 Base-Backbone interact. energy: -0.812 local terms energy: -79.909947 where: bonds (distance) C4'-P energy: -15.764 bonds (distance) P-C4' energy: -18.246 flat angles C4'-P-C4' energy: -14.889 flat angles P-C4'-P energy: -13.178 tors. eta vs tors. theta energy: -17.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -244.686289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.686289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.686289 (E_RNA) where: Base-Base interactions energy: -180.851 where: short stacking energy: -73.022 Base-Backbone interact. energy: -0.416 local terms energy: -63.419401 where: bonds (distance) C4'-P energy: -6.316 bonds (distance) P-C4' energy: -16.075 flat angles C4'-P-C4' energy: -16.513 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -15.865 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: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -258.356560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.356560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.356560 (E_RNA) where: Base-Base interactions energy: -180.098 where: short stacking energy: -68.733 Base-Backbone interact. energy: 1.593 local terms energy: -79.851411 where: bonds (distance) C4'-P energy: -17.784 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -18.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -215.466867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.466867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.466867 (E_RNA) where: Base-Base interactions energy: -145.218 where: short stacking energy: -60.553 Base-Backbone interact. energy: -0.056 local terms energy: -70.192253 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -18.287 flat angles C4'-P-C4' energy: -15.223 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -205.684158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.684158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.684158 (E_RNA) where: Base-Base interactions energy: -133.449 where: short stacking energy: -66.035 Base-Backbone interact. energy: 0.702 local terms energy: -72.937006 where: bonds (distance) C4'-P energy: -17.329 bonds (distance) P-C4' energy: -15.612 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -15.940 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: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -105.810829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.810829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.810829 (E_RNA) where: Base-Base interactions energy: -45.885 where: short stacking energy: -45.885 Base-Backbone interact. energy: -0.397 local terms energy: -59.528829 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -14.900 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -174.367576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.367576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.367576 (E_RNA) where: Base-Base interactions energy: -127.578 where: short stacking energy: -50.075 Base-Backbone interact. energy: -1.167 local terms energy: -45.622144 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -7.852 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -292.873056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.873056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.873056 (E_RNA) where: Base-Base interactions energy: -207.260 where: short stacking energy: -88.111 Base-Backbone interact. energy: -0.378 local terms energy: -85.235153 where: bonds (distance) C4'-P energy: -16.725 bonds (distance) P-C4' energy: -16.383 flat angles C4'-P-C4' energy: -16.004 flat angles P-C4'-P energy: -14.361 tors. eta vs tors. theta energy: -21.762 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: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -281.715604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.715604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.715604 (E_RNA) where: Base-Base interactions energy: -199.963 where: short stacking energy: -83.946 Base-Backbone interact. energy: -0.241 local terms energy: -81.511140 where: bonds (distance) C4'-P energy: -16.790 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -17.172 flat angles P-C4'-P energy: -10.755 tors. eta vs tors. theta energy: -21.056 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: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -268.030644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.030644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.030644 (E_RNA) where: Base-Base interactions energy: -189.542 where: short stacking energy: -83.937 Base-Backbone interact. energy: -0.709 local terms energy: -77.780214 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -16.169 flat angles P-C4'-P energy: -12.397 tors. eta vs tors. theta energy: -17.362 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: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -279.073540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.073540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.073540 (E_RNA) where: Base-Base interactions energy: -198.488 where: short stacking energy: -87.317 Base-Backbone interact. energy: -0.530 local terms energy: -80.055168 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -17.854 flat angles P-C4'-P energy: -12.650 tors. eta vs tors. theta energy: -19.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -263.353004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.353004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.353004 (E_RNA) where: Base-Base interactions energy: -189.195 where: short stacking energy: -74.140 Base-Backbone interact. energy: -0.321 local terms energy: -73.837730 where: bonds (distance) C4'-P energy: -15.678 bonds (distance) P-C4' energy: -15.342 flat angles C4'-P-C4' energy: -16.824 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -18.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -242.390097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.390097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.390097 (E_RNA) where: Base-Base interactions energy: -169.192 where: short stacking energy: -64.494 Base-Backbone interact. energy: -0.455 local terms energy: -72.743353 where: bonds (distance) C4'-P energy: -15.944 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -18.389 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -13.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -221.247160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.247160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.247160 (E_RNA) where: Base-Base interactions energy: -154.365 where: short stacking energy: -61.807 Base-Backbone interact. energy: -0.001 local terms energy: -66.881002 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -13.647 tors. eta vs tors. theta energy: -14.157 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: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -210.892487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.892487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.892487 (E_RNA) where: Base-Base interactions energy: -142.918 where: short stacking energy: -60.423 Base-Backbone interact. energy: -0.111 local terms energy: -67.863611 where: bonds (distance) C4'-P energy: -17.369 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -14.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -181.129339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.129339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.129339 (E_RNA) where: Base-Base interactions energy: -125.329 where: short stacking energy: -53.065 Base-Backbone interact. energy: 0.600 local terms energy: -56.400370 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -18.073 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -7.908 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: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -116.452383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.452383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.452383 (E_RNA) where: Base-Base interactions energy: -65.862 where: short stacking energy: -43.669 Base-Backbone interact. energy: -0.396 local terms energy: -50.194853 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -11.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -285.212617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.212617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.212617 (E_RNA) where: Base-Base interactions energy: -204.745 where: short stacking energy: -86.432 Base-Backbone interact. energy: 0.008 local terms energy: -80.475262 where: bonds (distance) C4'-P energy: -16.460 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -21.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -288.903822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.903822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.903822 (E_RNA) where: Base-Base interactions energy: -203.603 where: short stacking energy: -88.965 Base-Backbone interact. energy: 0.683 local terms energy: -85.984645 where: bonds (distance) C4'-P energy: -19.730 bonds (distance) P-C4' energy: -16.765 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -22.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -280.242191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.242191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.242191 (E_RNA) where: Base-Base interactions energy: -201.634 where: short stacking energy: -87.931 Base-Backbone interact. energy: -0.077 local terms energy: -78.531390 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -16.275 flat angles C4'-P-C4' energy: -15.625 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -20.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -270.365062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.365062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.365062 (E_RNA) where: Base-Base interactions energy: -195.402 where: short stacking energy: -80.507 Base-Backbone interact. energy: -0.622 local terms energy: -74.341337 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -19.440 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -18.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -270.295390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.295390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.295390 (E_RNA) where: Base-Base interactions energy: -193.380 where: short stacking energy: -77.769 Base-Backbone interact. energy: -0.139 local terms energy: -76.776256 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -17.768 flat angles C4'-P-C4' energy: -17.165 flat angles P-C4'-P energy: -10.720 tors. eta vs tors. theta energy: -16.104 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: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -211.633630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.633630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.633630 (E_RNA) where: Base-Base interactions energy: -136.881 where: short stacking energy: -62.619 Base-Backbone interact. energy: -0.016 local terms energy: -74.737136 where: bonds (distance) C4'-P energy: -17.172 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -13.802 tors. eta vs tors. theta energy: -16.604 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: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -233.554112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.554112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.554112 (E_RNA) where: Base-Base interactions energy: -160.752 where: short stacking energy: -72.288 Base-Backbone interact. energy: -0.761 local terms energy: -72.041215 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -14.602 flat angles C4'-P-C4' energy: -19.984 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -201.269851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.269851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.269851 (E_RNA) where: Base-Base interactions energy: -132.146 where: short stacking energy: -61.680 Base-Backbone interact. energy: 3.261 local terms energy: -72.384690 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -16.508 flat angles C4'-P-C4' energy: -18.216 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -19.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -207.595349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.595349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.595349 (E_RNA) where: Base-Base interactions energy: -134.358 where: short stacking energy: -70.693 Base-Backbone interact. energy: 1.181 local terms energy: -74.418406 where: bonds (distance) C4'-P energy: -19.456 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -15.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -102.741629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.741629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.741629 (E_RNA) where: Base-Base interactions energy: -47.165 where: short stacking energy: -47.165 Base-Backbone interact. energy: -0.310 local terms energy: -55.266507 where: bonds (distance) C4'-P energy: -15.697 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -8.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -283.129291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.129291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.129291 (E_RNA) where: Base-Base interactions energy: -204.770 where: short stacking energy: -84.976 Base-Backbone interact. energy: -1.920 local terms energy: -76.439428 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -16.926 flat angles P-C4'-P energy: -12.514 tors. eta vs tors. theta energy: -18.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -280.059076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.059076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.059076 (E_RNA) where: Base-Base interactions energy: -199.897 where: short stacking energy: -82.442 Base-Backbone interact. energy: -0.164 local terms energy: -79.998817 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -14.037 tors. eta vs tors. theta energy: -19.829 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: 362 Temperature: 1.000000 Total energy: -277.556733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.556733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.556733 (E_RNA) where: Base-Base interactions energy: -197.423 where: short stacking energy: -81.050 Base-Backbone interact. energy: 1.733 local terms energy: -81.866179 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -18.443 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -15.030 tors. eta vs tors. theta energy: -18.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -275.186885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.186885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.186885 (E_RNA) where: Base-Base interactions energy: -191.147 where: short stacking energy: -81.569 Base-Backbone interact. energy: -0.648 local terms energy: -83.392135 where: bonds (distance) C4'-P energy: -19.047 bonds (distance) P-C4' energy: -18.597 flat angles C4'-P-C4' energy: -18.919 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -19.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -267.080904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.080904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.080904 (E_RNA) where: Base-Base interactions energy: -190.960 where: short stacking energy: -81.813 Base-Backbone interact. energy: -0.841 local terms energy: -75.280470 where: bonds (distance) C4'-P energy: -17.119 bonds (distance) P-C4' energy: -17.696 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -210.194608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.194608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.194608 (E_RNA) where: Base-Base interactions energy: -142.591 where: short stacking energy: -65.940 Base-Backbone interact. energy: -0.087 local terms energy: -67.516480 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -17.655 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -217.335054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.335054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.335054 (E_RNA) where: Base-Base interactions energy: -139.267 where: short stacking energy: -69.996 Base-Backbone interact. energy: -0.015 local terms energy: -78.052506 where: bonds (distance) C4'-P energy: -18.770 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -18.003 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: 8, replica: 4 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -227.951734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.951734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.951734 (E_RNA) where: Base-Base interactions energy: -155.884 where: short stacking energy: -62.205 Base-Backbone interact. energy: 0.611 local terms energy: -72.679148 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -16.715 flat angles P-C4'-P energy: -14.759 tors. eta vs tors. theta energy: -14.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -194.959031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.959031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.959031 (E_RNA) where: Base-Base interactions energy: -127.468 where: short stacking energy: -57.207 Base-Backbone interact. energy: -0.051 local terms energy: -67.440091 where: bonds (distance) C4'-P energy: -12.977 bonds (distance) P-C4' energy: -16.853 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -14.841 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: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -115.731052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.731052 (E_RNA) where: Base-Base interactions energy: -68.854 where: short stacking energy: -45.027 Base-Backbone interact. energy: -0.624 local terms energy: -46.253681 where: bonds (distance) C4'-P energy: -8.750 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -284.696847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.696847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.696847 (E_RNA) where: Base-Base interactions energy: -202.286 where: short stacking energy: -80.764 Base-Backbone interact. energy: -0.493 local terms energy: -81.917825 where: bonds (distance) C4'-P energy: -17.247 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -19.779 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -18.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -289.823156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.823156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.823156 (E_RNA) where: Base-Base interactions energy: -202.029 where: short stacking energy: -87.509 Base-Backbone interact. energy: -1.076 local terms energy: -86.718223 where: bonds (distance) C4'-P energy: -15.451 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -19.247 flat angles P-C4'-P energy: -12.801 tors. eta vs tors. theta energy: -21.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -273.099773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.099773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.099773 (E_RNA) where: Base-Base interactions energy: -193.288 where: short stacking energy: -86.066 Base-Backbone interact. energy: -0.124 local terms energy: -79.688068 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -18.038 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -19.097 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: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -273.029533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.029533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.029533 (E_RNA) where: Base-Base interactions energy: -203.574 where: short stacking energy: -81.868 Base-Backbone interact. energy: -0.471 local terms energy: -68.984369 where: bonds (distance) C4'-P energy: -13.325 bonds (distance) P-C4' energy: -16.269 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -22.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -267.701237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.701237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.701237 (E_RNA) where: Base-Base interactions energy: -192.048 where: short stacking energy: -81.132 Base-Backbone interact. energy: -0.221 local terms energy: -75.432206 where: bonds (distance) C4'-P energy: -13.998 bonds (distance) P-C4' energy: -13.119 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -22.647 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: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -216.456589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.456589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.456589 (E_RNA) where: Base-Base interactions energy: -138.221 where: short stacking energy: -69.211 Base-Backbone interact. energy: -0.001 local terms energy: -78.234175 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -19.312 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -17.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -206.672040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.672040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.672040 (E_RNA) where: Base-Base interactions energy: -139.501 where: short stacking energy: -65.124 Base-Backbone interact. energy: 0.251 local terms energy: -67.422550 where: bonds (distance) C4'-P energy: -14.714 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -15.161 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: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -237.115856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.115856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.115856 (E_RNA) where: Base-Base interactions energy: -174.309 where: short stacking energy: -67.036 Base-Backbone interact. energy: 0.627 local terms energy: -63.433587 where: bonds (distance) C4'-P energy: -17.516 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -16.952 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -11.993 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: 363 Temperature: 1.300000 Total energy: -188.262433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.262433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.262433 (E_RNA) where: Base-Base interactions energy: -128.806 where: short stacking energy: -58.343 Base-Backbone interact. energy: -0.199 local terms energy: -59.257577 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -8.703 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: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -107.653831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.653831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.653831 (E_RNA) where: Base-Base interactions energy: -53.252 where: short stacking energy: -35.268 Base-Backbone interact. energy: -0.374 local terms energy: -54.028374 where: bonds (distance) C4'-P energy: -13.161 bonds (distance) P-C4' energy: -16.816 flat angles C4'-P-C4' energy: -11.667 flat angles P-C4'-P energy: -9.217 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: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -286.340835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.340835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.340835 (E_RNA) where: Base-Base interactions energy: -204.895 where: short stacking energy: -85.954 Base-Backbone interact. energy: -0.260 local terms energy: -81.185948 where: bonds (distance) C4'-P energy: -18.324 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -17.556 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: 10 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -278.383546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.383546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.383546 (E_RNA) where: Base-Base interactions energy: -194.550 where: short stacking energy: -79.702 Base-Backbone interact. energy: -0.292 local terms energy: -83.540763 where: bonds (distance) C4'-P energy: -17.929 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -18.647 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -19.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -274.593773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.593773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.593773 (E_RNA) where: Base-Base interactions energy: -199.742 where: short stacking energy: -82.235 Base-Backbone interact. energy: -0.237 local terms energy: -74.614403 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -21.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -272.857699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.857699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.857699 (E_RNA) where: Base-Base interactions energy: -191.915 where: short stacking energy: -89.180 Base-Backbone interact. energy: -0.027 local terms energy: -80.916323 where: bonds (distance) C4'-P energy: -15.399 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -16.409 tors. eta vs tors. theta energy: -20.427 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: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -267.652842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.652842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.652842 (E_RNA) where: Base-Base interactions energy: -189.507 where: short stacking energy: -71.102 Base-Backbone interact. energy: 0.859 local terms energy: -79.005020 where: bonds (distance) C4'-P energy: -15.768 bonds (distance) P-C4' energy: -17.807 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -18.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -218.728368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.728368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.728368 (E_RNA) where: Base-Base interactions energy: -144.318 where: short stacking energy: -67.260 Base-Backbone interact. energy: -0.047 local terms energy: -74.363488 where: bonds (distance) C4'-P energy: -16.600 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -16.173 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -17.930 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: 364 Temperature: 1.200000 Total energy: -244.067100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.067100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.067100 (E_RNA) where: Base-Base interactions energy: -179.946 where: short stacking energy: -73.407 Base-Backbone interact. energy: -0.921 local terms energy: -63.199657 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -16.225 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -15.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -213.783186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.783186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.783186 (E_RNA) where: Base-Base interactions energy: -148.038 where: short stacking energy: -71.526 Base-Backbone interact. energy: 0.358 local terms energy: -66.102940 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -204.254595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.254595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.254595 (E_RNA) where: Base-Base interactions energy: -136.520 where: short stacking energy: -72.282 Base-Backbone interact. energy: -0.261 local terms energy: -67.473391 where: bonds (distance) C4'-P energy: -17.573 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -16.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -104.386335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.386335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.386335 (E_RNA) where: Base-Base interactions energy: -50.531 where: short stacking energy: -36.148 Base-Backbone interact. energy: -0.853 local terms energy: -53.001805 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -16.853 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -284.561804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.561804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.561804 (E_RNA) where: Base-Base interactions energy: -203.133 where: short stacking energy: -87.807 Base-Backbone interact. energy: -1.043 local terms energy: -80.386307 where: bonds (distance) C4'-P energy: -19.585 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -12.782 tors. eta vs tors. theta energy: -20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -286.723115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.723115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.723115 (E_RNA) where: Base-Base interactions energy: -206.457 where: short stacking energy: -94.464 Base-Backbone interact. energy: -0.087 local terms energy: -80.179417 where: bonds (distance) C4'-P energy: -15.960 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -15.951 flat angles P-C4'-P energy: -13.443 tors. eta vs tors. theta energy: -21.314 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: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -281.496397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.496397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.496397 (E_RNA) where: Base-Base interactions energy: -199.019 where: short stacking energy: -87.239 Base-Backbone interact. energy: -0.256 local terms energy: -82.220681 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -11.782 tors. eta vs tors. theta energy: -22.488 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: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -265.509156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.509156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.509156 (E_RNA) where: Base-Base interactions energy: -188.943 where: short stacking energy: -68.581 Base-Backbone interact. energy: -0.252 local terms energy: -76.314448 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -19.895 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -12.918 tors. eta vs tors. theta energy: -14.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -272.436570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.436570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.436570 (E_RNA) where: Base-Base interactions energy: -192.388 where: short stacking energy: -87.854 Base-Backbone interact. energy: 0.315 local terms energy: -80.363292 where: bonds (distance) C4'-P energy: -17.503 bonds (distance) P-C4' energy: -15.398 flat angles C4'-P-C4' energy: -17.504 flat angles P-C4'-P energy: -12.216 tors. eta vs tors. theta energy: -17.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -239.271087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.271087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.271087 (E_RNA) where: Base-Base interactions energy: -166.184 where: short stacking energy: -72.828 Base-Backbone interact. energy: -0.156 local terms energy: -72.931423 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -19.056 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -13.747 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: 7, replica: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -215.068288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.068288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.068288 (E_RNA) where: Base-Base interactions energy: -135.360 where: short stacking energy: -64.815 Base-Backbone interact. energy: -0.046 local terms energy: -79.662224 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -19.094 flat angles C4'-P-C4' energy: -18.148 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -208.072483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.072483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.072483 (E_RNA) where: Base-Base interactions energy: -145.680 where: short stacking energy: -66.441 Base-Backbone interact. energy: 0.614 local terms energy: -63.006709 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -18.588 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -16.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -209.669409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.669409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.669409 (E_RNA) where: Base-Base interactions energy: -149.937 where: short stacking energy: -58.535 Base-Backbone interact. energy: -0.044 local terms energy: -59.688258 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -9.402 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -16.032 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: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -96.565196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.565196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.565196 (E_RNA) where: Base-Base interactions energy: -44.396 where: short stacking energy: -36.077 Base-Backbone interact. energy: -0.189 local terms energy: -51.980429 where: bonds (distance) C4'-P energy: -16.678 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -289.566493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.566493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.566493 (E_RNA) where: Base-Base interactions energy: -204.923 where: short stacking energy: -83.987 Base-Backbone interact. energy: -0.095 local terms energy: -84.548361 where: bonds (distance) C4'-P energy: -16.327 bonds (distance) P-C4' energy: -20.208 flat angles C4'-P-C4' energy: -18.897 flat angles P-C4'-P energy: -10.152 tors. eta vs tors. theta energy: -18.964 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: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -281.062138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.062138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.062138 (E_RNA) where: Base-Base interactions energy: -199.172 where: short stacking energy: -79.895 Base-Backbone interact. energy: -0.301 local terms energy: -81.589144 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -17.574 flat angles C4'-P-C4' energy: -18.379 flat angles P-C4'-P energy: -12.017 tors. eta vs tors. theta energy: -21.354 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: 1 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -281.163516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.163516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.163516 (E_RNA) where: Base-Base interactions energy: -196.351 where: short stacking energy: -80.209 Base-Backbone interact. energy: -0.313 local terms energy: -84.500306 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -17.563 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -13.063 tors. eta vs tors. theta energy: -21.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -265.909857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.909857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.909857 (E_RNA) where: Base-Base interactions energy: -196.294 where: short stacking energy: -77.057 Base-Backbone interact. energy: -0.147 local terms energy: -69.468991 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -18.883 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -273.689140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.689140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.689140 (E_RNA) where: Base-Base interactions energy: -196.182 where: short stacking energy: -83.683 Base-Backbone interact. energy: -0.336 local terms energy: -77.171583 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -17.005 flat angles C4'-P-C4' energy: -19.970 flat angles P-C4'-P energy: -12.970 tors. eta vs tors. theta energy: -15.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -240.837596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -240.837596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -240.837596 (E_RNA) where: Base-Base interactions energy: -173.138 where: short stacking energy: -75.901 Base-Backbone interact. energy: -0.650 local terms energy: -67.049017 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -16.726 flat angles P-C4'-P energy: -11.110 tors. eta vs tors. theta energy: -10.790 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: 7, replica: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -218.155438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.155438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.155438 (E_RNA) where: Base-Base interactions energy: -148.115 where: short stacking energy: -69.267 Base-Backbone interact. energy: -0.015 local terms energy: -70.024612 where: bonds (distance) C4'-P energy: -9.970 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -16.675 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -17.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -199.603261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.603261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.603261 (E_RNA) where: Base-Base interactions energy: -138.684 where: short stacking energy: -64.777 Base-Backbone interact. energy: 1.167 local terms energy: -62.086734 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -14.630 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -214.877157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.877157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.877157 (E_RNA) where: Base-Base interactions energy: -146.631 where: short stacking energy: -68.552 Base-Backbone interact. energy: -0.702 local terms energy: -67.543673 where: bonds (distance) C4'-P energy: -18.256 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -15.443 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -15.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -95.060906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.060906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.060906 (E_RNA) where: Base-Base interactions energy: -43.392 where: short stacking energy: -40.675 Base-Backbone interact. energy: -0.975 local terms energy: -50.693345 where: bonds (distance) C4'-P energy: -7.749 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -4.813 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: 1, replica: 5 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -287.948217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.948217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.948217 (E_RNA) where: Base-Base interactions energy: -203.573 where: short stacking energy: -89.471 Base-Backbone interact. energy: -0.071 local terms energy: -84.304060 where: bonds (distance) C4'-P energy: -16.928 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -18.679 flat angles P-C4'-P energy: -10.159 tors. eta vs tors. theta energy: -18.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -286.232135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.232135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.232135 (E_RNA) where: Base-Base interactions energy: -203.014 where: short stacking energy: -84.954 Base-Backbone interact. energy: -0.515 local terms energy: -82.702826 where: bonds (distance) C4'-P energy: -16.535 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -17.567 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -20.307 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: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -276.807677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.807677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.807677 (E_RNA) where: Base-Base interactions energy: -193.520 where: short stacking energy: -83.155 Base-Backbone interact. energy: -0.813 local terms energy: -82.474841 where: bonds (distance) C4'-P energy: -17.938 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -17.029 flat angles P-C4'-P energy: -12.481 tors. eta vs tors. theta energy: -19.054 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: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -268.905468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.905468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.905468 (E_RNA) where: Base-Base interactions energy: -190.788 where: short stacking energy: -83.501 Base-Backbone interact. energy: -0.629 local terms energy: -77.488985 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -14.264 tors. eta vs tors. theta energy: -23.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -268.208606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.208606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.208606 (E_RNA) where: Base-Base interactions energy: -198.823 where: short stacking energy: -73.574 Base-Backbone interact. energy: -0.192 local terms energy: -69.193521 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -218.027949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.027949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.027949 (E_RNA) where: Base-Base interactions energy: -146.528 where: short stacking energy: -76.856 Base-Backbone interact. energy: 0.121 local terms energy: -71.621332 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -18.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -237.434953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.434953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.434953 (E_RNA) where: Base-Base interactions energy: -166.962 where: short stacking energy: -63.916 Base-Backbone interact. energy: 1.787 local terms energy: -72.259744 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -16.738 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -14.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -215.509345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.509345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.509345 (E_RNA) where: Base-Base interactions energy: -145.258 where: short stacking energy: -60.635 Base-Backbone interact. energy: -0.192 local terms energy: -70.059585 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -15.522 flat angles C4'-P-C4' energy: -16.080 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -15.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -198.076133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.076133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.076133 (E_RNA) where: Base-Base interactions energy: -130.838 where: short stacking energy: -66.226 Base-Backbone interact. energy: -0.100 local terms energy: -67.138531 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -16.097 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: 367 Temperature: 1.350000 Total energy: -92.744599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.744599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.744599 (E_RNA) where: Base-Base interactions energy: -40.415 where: short stacking energy: -33.891 Base-Backbone interact. energy: -0.167 local terms energy: -52.162545 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -11.084 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -6.442 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: 1, replica: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -279.937995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.937995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.937995 (E_RNA) where: Base-Base interactions energy: -195.928 where: short stacking energy: -84.696 Base-Backbone interact. energy: -0.101 local terms energy: -83.909150 where: bonds (distance) C4'-P energy: -15.254 bonds (distance) P-C4' energy: -16.623 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -15.149 tors. eta vs tors. theta energy: -21.473 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: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -283.847133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.847133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.847133 (E_RNA) where: Base-Base interactions energy: -200.308 where: short stacking energy: -82.213 Base-Backbone interact. energy: -0.163 local terms energy: -83.375660 where: bonds (distance) C4'-P energy: -16.803 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -18.921 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -20.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -276.506060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.506060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.506060 (E_RNA) where: Base-Base interactions energy: -196.169 where: short stacking energy: -78.175 Base-Backbone interact. energy: -0.105 local terms energy: -80.231835 where: bonds (distance) C4'-P energy: -16.878 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -17.680 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -22.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -270.843515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.843515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.843515 (E_RNA) where: Base-Base interactions energy: -200.065 where: short stacking energy: -81.971 Base-Backbone interact. energy: -0.096 local terms energy: -70.681704 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -15.909 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -279.348785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.348785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.348785 (E_RNA) where: Base-Base interactions energy: -204.547 where: short stacking energy: -81.516 Base-Backbone interact. energy: -0.337 local terms energy: -74.464864 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -17.302 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -17.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -207.840230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.840230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.840230 (E_RNA) where: Base-Base interactions energy: -131.188 where: short stacking energy: -64.321 Base-Backbone interact. energy: -0.051 local terms energy: -76.601222 where: bonds (distance) C4'-P energy: -17.789 bonds (distance) P-C4' energy: -18.105 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -12.843 tors. eta vs tors. theta energy: -10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -242.739911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.739911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.739911 (E_RNA) where: Base-Base interactions energy: -167.891 where: short stacking energy: -68.932 Base-Backbone interact. energy: -0.167 local terms energy: -74.681165 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -17.716 flat angles P-C4'-P energy: -11.200 tors. eta vs tors. theta energy: -16.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -225.426529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.426529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.426529 (E_RNA) where: Base-Base interactions energy: -164.429 where: short stacking energy: -60.590 Base-Backbone interact. energy: -0.441 local terms energy: -60.556598 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -12.106 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: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -198.743182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.743182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.743182 (E_RNA) where: Base-Base interactions energy: -135.150 where: short stacking energy: -55.489 Base-Backbone interact. energy: -0.547 local terms energy: -63.046103 where: bonds (distance) C4'-P energy: -15.230 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -12.989 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: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -97.198711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.198711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.198711 (E_RNA) where: Base-Base interactions energy: -44.852 where: short stacking energy: -39.042 Base-Backbone interact. energy: -0.154 local terms energy: -52.192079 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -283.681010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.681010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.681010 (E_RNA) where: Base-Base interactions energy: -208.274 where: short stacking energy: -90.094 Base-Backbone interact. energy: -0.107 local terms energy: -75.300582 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -16.975 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -21.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -280.979854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.979854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.979854 (E_RNA) where: Base-Base interactions energy: -200.267 where: short stacking energy: -82.952 Base-Backbone interact. energy: -1.459 local terms energy: -79.253224 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -17.085 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -283.950247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.950247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.950247 (E_RNA) where: Base-Base interactions energy: -195.514 where: short stacking energy: -80.672 Base-Backbone interact. energy: -1.503 local terms energy: -86.933097 where: bonds (distance) C4'-P energy: -17.040 bonds (distance) P-C4' energy: -17.340 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -14.840 tors. eta vs tors. theta energy: -21.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -273.434039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.434039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.434039 (E_RNA) where: Base-Base interactions energy: -197.411 where: short stacking energy: -81.624 Base-Backbone interact. energy: -0.208 local terms energy: -75.814781 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -17.864 flat angles C4'-P-C4' energy: -19.258 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -18.004 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: 369 Temperature: 1.100000 Total energy: -268.087917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.087917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.087917 (E_RNA) where: Base-Base interactions energy: -190.716 where: short stacking energy: -76.073 Base-Backbone interact. energy: -0.980 local terms energy: -76.392396 where: bonds (distance) C4'-P energy: -17.152 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -261.426568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.426568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.426568 (E_RNA) where: Base-Base interactions energy: -181.784 where: short stacking energy: -72.699 Base-Backbone interact. energy: -0.040 local terms energy: -79.602699 where: bonds (distance) C4'-P energy: -15.757 bonds (distance) P-C4' energy: -17.378 flat angles C4'-P-C4' energy: -18.572 flat angles P-C4'-P energy: -11.910 tors. eta vs tors. theta energy: -15.986 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: 369 Temperature: 1.200000 Total energy: -210.083044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.083044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.083044 (E_RNA) where: Base-Base interactions energy: -142.099 where: short stacking energy: -66.478 Base-Backbone interact. energy: -0.077 local terms energy: -67.907475 where: bonds (distance) C4'-P energy: -11.193 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -19.307 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -13.384 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: 8, replica: 8 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -197.462151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.462151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.462151 (E_RNA) where: Base-Base interactions energy: -128.448 where: short stacking energy: -54.851 Base-Backbone interact. energy: -0.098 local terms energy: -68.915928 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -15.789 flat angles P-C4'-P energy: -11.335 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -203.094757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.094757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.094757 (E_RNA) where: Base-Base interactions energy: -137.204 where: short stacking energy: -64.764 Base-Backbone interact. energy: -0.010 local terms energy: -65.880248 where: bonds (distance) C4'-P energy: -14.572 bonds (distance) P-C4' energy: -18.611 flat angles C4'-P-C4' energy: -11.696 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -15.535 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: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -97.905116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.905116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.905116 (E_RNA) where: Base-Base interactions energy: -44.149 where: short stacking energy: -39.943 Base-Backbone interact. energy: -0.151 local terms energy: -53.605734 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -286.262968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.262968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.262968 (E_RNA) where: Base-Base interactions energy: -200.929 where: short stacking energy: -88.629 Base-Backbone interact. energy: -1.128 local terms energy: -84.206409 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -16.558 flat angles P-C4'-P energy: -12.797 tors. eta vs tors. theta energy: -21.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -279.859469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.859469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.859469 (E_RNA) where: Base-Base interactions energy: -202.323 where: short stacking energy: -85.679 Base-Backbone interact. energy: 1.237 local terms energy: -78.772906 where: bonds (distance) C4'-P energy: -16.183 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -18.947 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: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -275.264634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.264634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.264634 (E_RNA) where: Base-Base interactions energy: -195.239 where: short stacking energy: -79.444 Base-Backbone interact. energy: 0.485 local terms energy: -80.511319 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -19.966 flat angles C4'-P-C4' energy: -16.253 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -20.159 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: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -267.199394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.199394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.199394 (E_RNA) where: Base-Base interactions energy: -190.757 where: short stacking energy: -79.988 Base-Backbone interact. energy: -0.633 local terms energy: -75.809334 where: bonds (distance) C4'-P energy: -13.193 bonds (distance) P-C4' energy: -17.752 flat angles C4'-P-C4' energy: -16.720 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -16.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -270.884094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.884094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.884094 (E_RNA) where: Base-Base interactions energy: -198.054 where: short stacking energy: -84.025 Base-Backbone interact. energy: -0.085 local terms energy: -72.745006 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -18.733 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -16.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -263.216275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.216275 (E_RNA) where: Base-Base interactions energy: -181.106 where: short stacking energy: -76.529 Base-Backbone interact. energy: -1.167 local terms energy: -80.943824 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -19.746 flat angles C4'-P-C4' energy: -15.989 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -16.965 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: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -193.568535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.568535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.568535 (E_RNA) where: Base-Base interactions energy: -125.443 where: short stacking energy: -58.330 Base-Backbone interact. energy: -0.188 local terms energy: -67.937666 where: bonds (distance) C4'-P energy: -15.461 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -12.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -213.361607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.361607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.361607 (E_RNA) where: Base-Base interactions energy: -146.825 where: short stacking energy: -69.771 Base-Backbone interact. energy: -0.113 local terms energy: -66.423447 where: bonds (distance) C4'-P energy: -17.015 bonds (distance) P-C4' energy: -10.746 flat angles C4'-P-C4' energy: -16.539 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -15.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -212.541544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.541544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.541544 (E_RNA) where: Base-Base interactions energy: -136.008 where: short stacking energy: -65.194 Base-Backbone interact. energy: -0.020 local terms energy: -76.512841 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -16.188 flat angles P-C4'-P energy: -12.773 tors. eta vs tors. theta energy: -17.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -106.411980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.411980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.411980 (E_RNA) where: Base-Base interactions energy: -39.754 where: short stacking energy: -39.754 Base-Backbone interact. energy: -0.212 local terms energy: -66.445547 where: bonds (distance) C4'-P energy: -17.805 bonds (distance) P-C4' energy: -19.968 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -10.293 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -278.243852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.243852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.243852 (E_RNA) where: Base-Base interactions energy: -200.114 where: short stacking energy: -81.502 Base-Backbone interact. energy: 0.822 local terms energy: -78.951887 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -17.033 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -23.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -279.776124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.776124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.776124 (E_RNA) where: Base-Base interactions energy: -201.467 where: short stacking energy: -81.171 Base-Backbone interact. energy: -0.162 local terms energy: -78.146731 where: bonds (distance) C4'-P energy: -18.550 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -16.456 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -19.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -278.122985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.122985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.122985 (E_RNA) where: Base-Base interactions energy: -198.273 where: short stacking energy: -79.201 Base-Backbone interact. energy: -0.432 local terms energy: -79.417961 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -17.927 flat angles C4'-P-C4' energy: -17.670 flat angles P-C4'-P energy: -11.330 tors. eta vs tors. theta energy: -18.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -263.026950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.026950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.026950 (E_RNA) where: Base-Base interactions energy: -187.629 where: short stacking energy: -73.123 Base-Backbone interact. energy: -0.128 local terms energy: -75.269592 where: bonds (distance) C4'-P energy: -18.248 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -19.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -262.603414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.603414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.603414 (E_RNA) where: Base-Base interactions energy: -187.481 where: short stacking energy: -75.054 Base-Backbone interact. energy: 1.533 local terms energy: -76.655414 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.329 flat angles C4'-P-C4' energy: -16.912 flat angles P-C4'-P energy: -15.129 tors. eta vs tors. theta energy: -15.196 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: 10 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -259.599278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.599278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.599278 (E_RNA) where: Base-Base interactions energy: -183.367 where: short stacking energy: -79.095 Base-Backbone interact. energy: -0.520 local terms energy: -75.712239 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -17.339 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -16.512 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: 371 Temperature: 1.200000 Total energy: -209.507537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.507537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.507537 (E_RNA) where: Base-Base interactions energy: -139.639 where: short stacking energy: -62.989 Base-Backbone interact. energy: -0.136 local terms energy: -69.732826 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -17.381 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: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -202.265531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.265531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.265531 (E_RNA) where: Base-Base interactions energy: -131.851 where: short stacking energy: -49.648 Base-Backbone interact. energy: -0.133 local terms energy: -70.282010 where: bonds (distance) C4'-P energy: -16.061 bonds (distance) P-C4' energy: -17.164 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -12.557 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: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -217.691941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.691941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.691941 (E_RNA) where: Base-Base interactions energy: -161.825 where: short stacking energy: -55.827 Base-Backbone interact. energy: -0.911 local terms energy: -54.955656 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -10.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -102.955037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.955037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.955037 (E_RNA) where: Base-Base interactions energy: -40.656 where: short stacking energy: -40.656 Base-Backbone interact. energy: -0.061 local terms energy: -62.238295 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -18.697 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -10.314 tors. eta vs tors. theta energy: -12.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -287.590607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.590607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.590607 (E_RNA) where: Base-Base interactions energy: -205.829 where: short stacking energy: -86.801 Base-Backbone interact. energy: -1.417 local terms energy: -80.345144 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -17.553 flat angles P-C4'-P energy: -13.672 tors. eta vs tors. theta energy: -20.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -282.054331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.054331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.054331 (E_RNA) where: Base-Base interactions energy: -202.359 where: short stacking energy: -80.034 Base-Backbone interact. energy: 0.028 local terms energy: -79.723477 where: bonds (distance) C4'-P energy: -16.467 bonds (distance) P-C4' energy: -17.448 flat angles C4'-P-C4' energy: -16.843 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -18.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -282.966114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.966114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.966114 (E_RNA) where: Base-Base interactions energy: -201.518 where: short stacking energy: -86.621 Base-Backbone interact. energy: -0.168 local terms energy: -81.280738 where: bonds (distance) C4'-P energy: -11.094 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -20.215 flat angles P-C4'-P energy: -12.996 tors. eta vs tors. theta energy: -20.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -274.419905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.419905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.419905 (E_RNA) where: Base-Base interactions energy: -204.598 where: short stacking energy: -79.025 Base-Backbone interact. energy: 0.672 local terms energy: -70.493910 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -17.219 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -13.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -264.887765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.887765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.887765 (E_RNA) where: Base-Base interactions energy: -193.901 where: short stacking energy: -75.399 Base-Backbone interact. energy: -0.350 local terms energy: -70.636502 where: bonds (distance) C4'-P energy: -15.629 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -12.680 tors. eta vs tors. theta energy: -15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -263.567064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.567064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.567064 (E_RNA) where: Base-Base interactions energy: -184.724 where: short stacking energy: -78.450 Base-Backbone interact. energy: -1.000 local terms energy: -77.842788 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -18.734 flat angles C4'-P-C4' energy: -16.052 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -22.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -210.818817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.818817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.818817 (E_RNA) where: Base-Base interactions energy: -138.773 where: short stacking energy: -67.824 Base-Backbone interact. energy: -0.111 local terms energy: -71.934919 where: bonds (distance) C4'-P energy: -14.332 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -14.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -210.281581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.281581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.281581 (E_RNA) where: Base-Base interactions energy: -138.665 where: short stacking energy: -68.092 Base-Backbone interact. energy: -0.948 local terms energy: -70.669202 where: bonds (distance) C4'-P energy: -9.013 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -16.526 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -217.023004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.023004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.023004 (E_RNA) where: Base-Base interactions energy: -153.212 where: short stacking energy: -66.517 Base-Backbone interact. energy: -0.171 local terms energy: -63.640170 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -18.730 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -11.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -103.613491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.613491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.613491 (E_RNA) where: Base-Base interactions energy: -50.091 where: short stacking energy: -37.188 Base-Backbone interact. energy: -0.158 local terms energy: -53.365047 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -9.819 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -291.306870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.306870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.306870 (E_RNA) where: Base-Base interactions energy: -209.861 where: short stacking energy: -87.829 Base-Backbone interact. energy: -0.790 local terms energy: -80.655636 where: bonds (distance) C4'-P energy: -16.740 bonds (distance) P-C4' energy: -13.794 flat angles C4'-P-C4' energy: -19.207 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -22.765 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: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -282.804634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.804634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.804634 (E_RNA) where: Base-Base interactions energy: -203.208 where: short stacking energy: -84.750 Base-Backbone interact. energy: -1.766 local terms energy: -77.830279 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -15.130 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -20.390 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: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -275.468641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.468641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.468641 (E_RNA) where: Base-Base interactions energy: -193.897 where: short stacking energy: -81.356 Base-Backbone interact. energy: -0.094 local terms energy: -81.477756 where: bonds (distance) C4'-P energy: -16.978 bonds (distance) P-C4' energy: -17.382 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -14.310 tors. eta vs tors. theta energy: -15.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -277.973229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.973229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.973229 (E_RNA) where: Base-Base interactions energy: -194.867 where: short stacking energy: -79.535 Base-Backbone interact. energy: -0.028 local terms energy: -83.078872 where: bonds (distance) C4'-P energy: -18.898 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -17.311 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -19.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -269.201671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.201671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.201671 (E_RNA) where: Base-Base interactions energy: -192.741 where: short stacking energy: -76.241 Base-Backbone interact. energy: -0.235 local terms energy: -76.225596 where: bonds (distance) C4'-P energy: -18.228 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -266.849062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.849062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.849062 (E_RNA) where: Base-Base interactions energy: -193.357 where: short stacking energy: -73.871 Base-Backbone interact. energy: -0.287 local terms energy: -73.204967 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -17.004 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -20.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -215.997918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.997918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.997918 (E_RNA) where: Base-Base interactions energy: -149.038 where: short stacking energy: -77.174 Base-Backbone interact. energy: 0.096 local terms energy: -67.055552 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -14.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -206.227877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.227877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.227877 (E_RNA) where: Base-Base interactions energy: -137.477 where: short stacking energy: -65.972 Base-Backbone interact. energy: -0.023 local terms energy: -68.728058 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -18.282 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: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -188.594584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.594584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.594584 (E_RNA) where: Base-Base interactions energy: -123.846 where: short stacking energy: -59.319 Base-Backbone interact. energy: 0.517 local terms energy: -65.265261 where: bonds (distance) C4'-P energy: -8.966 bonds (distance) P-C4' energy: -18.991 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -13.384 tors. eta vs tors. theta energy: -11.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -87.169460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.169460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.169460 (E_RNA) where: Base-Base interactions energy: -28.301 where: short stacking energy: -27.294 Base-Backbone interact. energy: -0.460 local terms energy: -58.409391 where: bonds (distance) C4'-P energy: -14.457 bonds (distance) P-C4' energy: -16.052 flat angles C4'-P-C4' energy: -17.052 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -282.330921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.330921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.330921 (E_RNA) where: Base-Base interactions energy: -198.402 where: short stacking energy: -82.559 Base-Backbone interact. energy: -2.196 local terms energy: -81.733099 where: bonds (distance) C4'-P energy: -18.054 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -18.716 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -278.220460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.220460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.220460 (E_RNA) where: Base-Base interactions energy: -198.414 where: short stacking energy: -86.159 Base-Backbone interact. energy: 0.169 local terms energy: -79.975348 where: bonds (distance) C4'-P energy: -15.495 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -14.387 tors. eta vs tors. theta energy: -20.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -282.010889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.010889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.010889 (E_RNA) where: Base-Base interactions energy: -202.792 where: short stacking energy: -88.316 Base-Backbone interact. energy: 2.792 local terms energy: -82.011297 where: bonds (distance) C4'-P energy: -13.951 bonds (distance) P-C4' energy: -17.701 flat angles C4'-P-C4' energy: -16.331 flat angles P-C4'-P energy: -14.004 tors. eta vs tors. theta energy: -20.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -264.969470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.969470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.969470 (E_RNA) where: Base-Base interactions energy: -197.495 where: short stacking energy: -78.477 Base-Backbone interact. energy: -0.101 local terms energy: -67.373887 where: bonds (distance) C4'-P energy: -8.065 bonds (distance) P-C4' energy: -18.452 flat angles C4'-P-C4' energy: -16.661 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -17.265 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: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -264.354201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.354201 (E_RNA) where: Base-Base interactions energy: -191.726 where: short stacking energy: -79.879 Base-Backbone interact. energy: -0.155 local terms energy: -72.473147 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -11.560 tors. eta vs tors. theta energy: -17.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -257.060744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.060744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.060744 (E_RNA) where: Base-Base interactions energy: -190.394 where: short stacking energy: -81.212 Base-Backbone interact. energy: -0.707 local terms energy: -65.959779 where: bonds (distance) C4'-P energy: -7.841 bonds (distance) P-C4' energy: -13.568 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -21.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -207.922378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.922378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.922378 (E_RNA) where: Base-Base interactions energy: -134.976 where: short stacking energy: -57.919 Base-Backbone interact. energy: -0.151 local terms energy: -72.795303 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -15.338 flat angles C4'-P-C4' energy: -19.082 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -13.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -210.117537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.117537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.117537 (E_RNA) where: Base-Base interactions energy: -138.978 where: short stacking energy: -63.221 Base-Backbone interact. energy: -0.425 local terms energy: -70.714480 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -10.216 flat angles C4'-P-C4' energy: -17.550 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -14.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -192.889220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.889220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.889220 (E_RNA) where: Base-Base interactions energy: -132.283 where: short stacking energy: -58.530 Base-Backbone interact. energy: -0.035 local terms energy: -60.570878 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -10.530 flat angles C4'-P-C4' energy: -18.596 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -10.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -108.623047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.623047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.623047 (E_RNA) where: Base-Base interactions energy: -55.714 where: short stacking energy: -45.506 Base-Backbone interact. energy: -0.151 local terms energy: -52.758047 where: bonds (distance) C4'-P energy: -16.191 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -6.096 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: 1, replica: 1 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -291.318763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.318763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.318763 (E_RNA) where: Base-Base interactions energy: -208.958 where: short stacking energy: -88.635 Base-Backbone interact. energy: -0.507 local terms energy: -81.854122 where: bonds (distance) C4'-P energy: -19.485 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -17.593 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -19.647 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: 375 Temperature: 0.950000 Total energy: -281.280836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.280836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.280836 (E_RNA) where: Base-Base interactions energy: -201.972 where: short stacking energy: -79.265 Base-Backbone interact. energy: -0.064 local terms energy: -79.244642 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -17.327 flat angles P-C4'-P energy: -11.994 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -277.922372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.922372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.922372 (E_RNA) where: Base-Base interactions energy: -202.791 where: short stacking energy: -76.538 Base-Backbone interact. energy: -0.084 local terms energy: -75.047012 where: bonds (distance) C4'-P energy: -17.438 bonds (distance) P-C4' energy: -17.124 flat angles C4'-P-C4' energy: -16.275 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -15.944 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: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -279.181203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.181203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.181203 (E_RNA) where: Base-Base interactions energy: -201.167 where: short stacking energy: -85.028 Base-Backbone interact. energy: -0.105 local terms energy: -77.908934 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -17.892 flat angles C4'-P-C4' energy: -17.107 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -19.571 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: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -262.842544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.842544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.842544 (E_RNA) where: Base-Base interactions energy: -192.215 where: short stacking energy: -77.101 Base-Backbone interact. energy: -0.165 local terms energy: -70.462996 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -16.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -266.265750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.265750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.265750 (E_RNA) where: Base-Base interactions energy: -193.055 where: short stacking energy: -85.368 Base-Backbone interact. energy: -0.095 local terms energy: -73.115368 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -10.890 flat angles P-C4'-P energy: -11.722 tors. eta vs tors. theta energy: -20.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -219.927694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.927694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.927694 (E_RNA) where: Base-Base interactions energy: -146.961 where: short stacking energy: -73.293 Base-Backbone interact. energy: -0.037 local terms energy: -72.929790 where: bonds (distance) C4'-P energy: -10.337 bonds (distance) P-C4' energy: -18.020 flat angles C4'-P-C4' energy: -16.512 flat angles P-C4'-P energy: -13.171 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -200.684168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.684168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.684168 (E_RNA) where: Base-Base interactions energy: -127.312 where: short stacking energy: -57.462 Base-Backbone interact. energy: -0.009 local terms energy: -73.363272 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -18.162 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -13.075 tors. eta vs tors. theta energy: -15.350 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: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -203.249368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.249368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.249368 (E_RNA) where: Base-Base interactions energy: -138.200 where: short stacking energy: -74.880 Base-Backbone interact. energy: -0.274 local terms energy: -64.775060 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -13.446 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -7.126 tors. eta vs tors. theta energy: -15.537 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: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -83.356621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.356621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.356621 (E_RNA) where: Base-Base interactions energy: -45.931 where: short stacking energy: -23.370 Base-Backbone interact. energy: 1.478 local terms energy: -38.902888 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: 1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -285.020068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.020068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.020068 (E_RNA) where: Base-Base interactions energy: -200.778 where: short stacking energy: -82.940 Base-Backbone interact. energy: -0.481 local terms energy: -83.760831 where: bonds (distance) C4'-P energy: -16.827 bonds (distance) P-C4' energy: -18.126 flat angles C4'-P-C4' energy: -17.099 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -21.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -279.524797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.524797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.524797 (E_RNA) where: Base-Base interactions energy: -199.947 where: short stacking energy: -88.759 Base-Backbone interact. energy: -0.149 local terms energy: -79.428145 where: bonds (distance) C4'-P energy: -18.498 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -21.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -278.314186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.314186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.314186 (E_RNA) where: Base-Base interactions energy: -201.724 where: short stacking energy: -80.403 Base-Backbone interact. energy: -0.116 local terms energy: -76.473419 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -17.324 flat angles C4'-P-C4' energy: -15.785 flat angles P-C4'-P energy: -12.526 tors. eta vs tors. theta energy: -16.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -270.663996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.663996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.663996 (E_RNA) where: Base-Base interactions energy: -190.644 where: short stacking energy: -73.667 Base-Backbone interact. energy: -1.832 local terms energy: -78.187678 where: bonds (distance) C4'-P energy: -14.981 bonds (distance) P-C4' energy: -17.789 flat angles C4'-P-C4' energy: -17.485 flat angles P-C4'-P energy: -12.527 tors. eta vs tors. theta energy: -15.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -275.209250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.209250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.209250 (E_RNA) where: Base-Base interactions energy: -199.323 where: short stacking energy: -85.129 Base-Backbone interact. energy: -0.481 local terms energy: -75.405207 where: bonds (distance) C4'-P energy: -16.362 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -21.111 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: 376 Temperature: 1.150000 Total energy: -257.310478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.310478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.310478 (E_RNA) where: Base-Base interactions energy: -188.393 where: short stacking energy: -79.860 Base-Backbone interact. energy: -0.245 local terms energy: -68.672867 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -16.650 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -17.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -199.656831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.656831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.656831 (E_RNA) where: Base-Base interactions energy: -124.790 where: short stacking energy: -59.994 Base-Backbone interact. energy: -1.055 local terms energy: -73.812381 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -15.663 flat angles P-C4'-P energy: -13.016 tors. eta vs tors. theta energy: -15.277 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: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -212.579685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.579685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.579685 (E_RNA) where: Base-Base interactions energy: -153.368 where: short stacking energy: -62.108 Base-Backbone interact. energy: -0.221 local terms energy: -58.990831 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -12.977 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: 9, replica: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -205.469240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.469240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.469240 (E_RNA) where: Base-Base interactions energy: -137.187 where: short stacking energy: -69.356 Base-Backbone interact. energy: -0.084 local terms energy: -68.198603 where: bonds (distance) C4'-P energy: -9.729 bonds (distance) P-C4' energy: -17.738 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -15.781 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: 9 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -98.655245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.655245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.655245 (E_RNA) where: Base-Base interactions energy: -54.694 where: short stacking energy: -46.596 Base-Backbone interact. energy: 0.880 local terms energy: -44.841012 where: bonds (distance) C4'-P energy: -9.864 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -5.964 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: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -281.587573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.587573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.587573 (E_RNA) where: Base-Base interactions energy: -201.550 where: short stacking energy: -84.698 Base-Backbone interact. energy: -0.366 local terms energy: -79.672475 where: bonds (distance) C4'-P energy: -15.237 bonds (distance) P-C4' energy: -15.313 flat angles C4'-P-C4' energy: -17.656 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -21.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -276.337925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.337925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.337925 (E_RNA) where: Base-Base interactions energy: -198.344 where: short stacking energy: -80.127 Base-Backbone interact. energy: -0.145 local terms energy: -77.849265 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -19.567 flat angles C4'-P-C4' energy: -17.131 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -18.062 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: 377 Temperature: 1.000000 Total energy: -279.268114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.268114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.268114 (E_RNA) where: Base-Base interactions energy: -201.933 where: short stacking energy: -81.512 Base-Backbone interact. energy: 0.882 local terms energy: -78.217308 where: bonds (distance) C4'-P energy: -16.448 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -18.378 flat angles P-C4'-P energy: -14.666 tors. eta vs tors. theta energy: -14.985 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: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -272.444351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.444351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.444351 (E_RNA) where: Base-Base interactions energy: -195.199 where: short stacking energy: -82.930 Base-Backbone interact. energy: -0.055 local terms energy: -77.190710 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -16.431 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -19.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -267.062028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.062028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.062028 (E_RNA) where: Base-Base interactions energy: -189.862 where: short stacking energy: -87.869 Base-Backbone interact. energy: 0.416 local terms energy: -77.615592 where: bonds (distance) C4'-P energy: -16.216 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -12.344 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -272.030721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.030721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.030721 (E_RNA) where: Base-Base interactions energy: -191.550 where: short stacking energy: -79.503 Base-Backbone interact. energy: -0.304 local terms energy: -80.176561 where: bonds (distance) C4'-P energy: -17.548 bonds (distance) P-C4' energy: -15.197 flat angles C4'-P-C4' energy: -19.173 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -19.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -208.517874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.517874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.517874 (E_RNA) where: Base-Base interactions energy: -143.449 where: short stacking energy: -61.876 Base-Backbone interact. energy: 0.016 local terms energy: -65.085043 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -15.129 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -11.590 tors. eta vs tors. theta energy: -13.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -211.181280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.181280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.181280 (E_RNA) where: Base-Base interactions energy: -151.898 where: short stacking energy: -71.499 Base-Backbone interact. energy: -0.063 local terms energy: -59.220356 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -9.861 flat angles C4'-P-C4' energy: -17.738 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -14.409 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: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -195.951849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.951849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.951849 (E_RNA) where: Base-Base interactions energy: -131.445 where: short stacking energy: -62.950 Base-Backbone interact. energy: -0.164 local terms energy: -64.342990 where: bonds (distance) C4'-P energy: -9.676 bonds (distance) P-C4' energy: -13.689 flat angles C4'-P-C4' energy: -16.056 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -94.044217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.044217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.044217 (E_RNA) where: Base-Base interactions energy: -47.788 where: short stacking energy: -27.260 Base-Backbone interact. energy: -0.222 local terms energy: -46.034798 where: bonds (distance) C4'-P energy: -9.374 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -12.005 tors. eta vs tors. theta energy: 1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -289.543236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.543236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.543236 (E_RNA) where: Base-Base interactions energy: -207.253 where: short stacking energy: -84.788 Base-Backbone interact. energy: -0.600 local terms energy: -81.690314 where: bonds (distance) C4'-P energy: -17.788 bonds (distance) P-C4' energy: -16.560 flat angles C4'-P-C4' energy: -15.847 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -21.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -279.256537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.256537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.256537 (E_RNA) where: Base-Base interactions energy: -195.558 where: short stacking energy: -81.076 Base-Backbone interact. energy: -0.145 local terms energy: -83.553412 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -18.689 flat angles C4'-P-C4' energy: -15.704 flat angles P-C4'-P energy: -13.620 tors. eta vs tors. theta energy: -19.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -286.836167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.836167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.836167 (E_RNA) where: Base-Base interactions energy: -200.018 where: short stacking energy: -77.367 Base-Backbone interact. energy: -1.537 local terms energy: -85.281615 where: bonds (distance) C4'-P energy: -17.250 bonds (distance) P-C4' energy: -17.433 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -13.898 tors. eta vs tors. theta energy: -20.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -273.223238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.223238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.223238 (E_RNA) where: Base-Base interactions energy: -195.934 where: short stacking energy: -87.488 Base-Backbone interact. energy: -0.654 local terms energy: -76.635742 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -18.240 flat angles P-C4'-P energy: -12.748 tors. eta vs tors. theta energy: -17.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -268.520136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.520136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.520136 (E_RNA) where: Base-Base interactions energy: -190.670 where: short stacking energy: -81.762 Base-Backbone interact. energy: -0.126 local terms energy: -77.723996 where: bonds (distance) C4'-P energy: -14.503 bonds (distance) P-C4' energy: -16.324 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -13.685 tors. eta vs tors. theta energy: -18.449 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: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -265.365904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.365904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.365904 (E_RNA) where: Base-Base interactions energy: -194.327 where: short stacking energy: -81.805 Base-Backbone interact. energy: 0.001 local terms energy: -71.039918 where: bonds (distance) C4'-P energy: -16.539 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -17.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -210.348877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.348877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.348877 (E_RNA) where: Base-Base interactions energy: -136.612 where: short stacking energy: -67.149 Base-Backbone interact. energy: -0.049 local terms energy: -73.688451 where: bonds (distance) C4'-P energy: -17.509 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -18.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -206.169223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.169223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.169223 (E_RNA) where: Base-Base interactions energy: -139.284 where: short stacking energy: -62.462 Base-Backbone interact. energy: 1.825 local terms energy: -68.710417 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -16.237 flat angles P-C4'-P energy: -10.644 tors. eta vs tors. theta energy: -12.632 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: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -203.558511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.558511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.558511 (E_RNA) where: Base-Base interactions energy: -133.507 where: short stacking energy: -67.067 Base-Backbone interact. energy: -0.039 local terms energy: -70.013000 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -15.397 flat angles C4'-P-C4' energy: -17.071 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -116.182631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.182631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.182631 (E_RNA) where: Base-Base interactions energy: -68.196 where: short stacking energy: -36.952 Base-Backbone interact. energy: -0.985 local terms energy: -47.002228 where: bonds (distance) C4'-P energy: -9.090 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -17.564 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -2.282 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: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -283.519529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.519529 (E_RNA) where: Base-Base interactions energy: -196.520 where: short stacking energy: -81.294 Base-Backbone interact. energy: -1.130 local terms energy: -85.869103 where: bonds (distance) C4'-P energy: -20.641 bonds (distance) P-C4' energy: -19.287 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -22.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -284.466170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.466170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.466170 (E_RNA) where: Base-Base interactions energy: -201.985 where: short stacking energy: -78.922 Base-Backbone interact. energy: -0.772 local terms energy: -81.709900 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -19.700 flat angles C4'-P-C4' energy: -17.585 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -21.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -264.872648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.872648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.872648 (E_RNA) where: Base-Base interactions energy: -187.581 where: short stacking energy: -77.258 Base-Backbone interact. energy: -0.318 local terms energy: -76.974067 where: bonds (distance) C4'-P energy: -17.183 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -18.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -267.777378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.777378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.777378 (E_RNA) where: Base-Base interactions energy: -189.670 where: short stacking energy: -81.631 Base-Backbone interact. energy: -0.173 local terms energy: -77.934877 where: bonds (distance) C4'-P energy: -17.404 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -16.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -267.820724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.820724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.820724 (E_RNA) where: Base-Base interactions energy: -189.785 where: short stacking energy: -77.254 Base-Backbone interact. energy: 2.379 local terms energy: -80.414709 where: bonds (distance) C4'-P energy: -14.683 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -13.529 tors. eta vs tors. theta energy: -21.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -268.856675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.856675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.856675 (E_RNA) where: Base-Base interactions energy: -190.816 where: short stacking energy: -80.961 Base-Backbone interact. energy: -0.546 local terms energy: -77.494473 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -10.558 tors. eta vs tors. theta energy: -20.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -223.737138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.737138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.737138 (E_RNA) where: Base-Base interactions energy: -145.550 where: short stacking energy: -74.147 Base-Backbone interact. energy: -0.015 local terms energy: -78.172197 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -17.114 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -21.640 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: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -223.567689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.567689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.567689 (E_RNA) where: Base-Base interactions energy: -154.171 where: short stacking energy: -77.339 Base-Backbone interact. energy: -0.049 local terms energy: -69.347357 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -16.716 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -14.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -224.805327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.805327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.805327 (E_RNA) where: Base-Base interactions energy: -160.805 where: short stacking energy: -63.755 Base-Backbone interact. energy: -0.101 local terms energy: -63.899607 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -14.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -93.802613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.802613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.802613 (E_RNA) where: Base-Base interactions energy: -44.402 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.671 local terms energy: -48.729862 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -12.231 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: 2.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -288.627366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.627366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.627366 (E_RNA) where: Base-Base interactions energy: -201.525 where: short stacking energy: -86.536 Base-Backbone interact. energy: -1.332 local terms energy: -85.770723 where: bonds (distance) C4'-P energy: -15.674 bonds (distance) P-C4' energy: -17.142 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -13.740 tors. eta vs tors. theta energy: -21.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -292.347236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.347236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.347236 (E_RNA) where: Base-Base interactions energy: -210.538 where: short stacking energy: -88.319 Base-Backbone interact. energy: -1.420 local terms energy: -80.389192 where: bonds (distance) C4'-P energy: -16.910 bonds (distance) P-C4' energy: -15.683 flat angles C4'-P-C4' energy: -17.358 flat angles P-C4'-P energy: -12.421 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -273.253273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.253273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.253273 (E_RNA) where: Base-Base interactions energy: -200.238 where: short stacking energy: -87.744 Base-Backbone interact. energy: 1.286 local terms energy: -74.301855 where: bonds (distance) C4'-P energy: -9.753 bonds (distance) P-C4' energy: -17.561 flat angles C4'-P-C4' energy: -17.322 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -20.640 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: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -267.981766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.981766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.981766 (E_RNA) where: Base-Base interactions energy: -193.900 where: short stacking energy: -75.471 Base-Backbone interact. energy: -0.127 local terms energy: -73.955130 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -11.097 flat angles C4'-P-C4' energy: -17.344 flat angles P-C4'-P energy: -12.089 tors. eta vs tors. theta energy: -18.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -263.842446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.842446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.842446 (E_RNA) where: Base-Base interactions energy: -191.181 where: short stacking energy: -75.639 Base-Backbone interact. energy: -0.310 local terms energy: -72.350783 where: bonds (distance) C4'-P energy: -16.191 bonds (distance) P-C4' energy: -16.229 flat angles C4'-P-C4' energy: -16.793 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -13.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -264.775738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.775738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.775738 (E_RNA) where: Base-Base interactions energy: -192.409 where: short stacking energy: -81.174 Base-Backbone interact. energy: -0.599 local terms energy: -71.767522 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -16.026 flat angles C4'-P-C4' energy: -15.463 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -16.788 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: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -214.750194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.750194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.750194 (E_RNA) where: Base-Base interactions energy: -150.129 where: short stacking energy: -71.564 Base-Backbone interact. energy: 0.036 local terms energy: -64.656728 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -12.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -210.557127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.557127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.557127 (E_RNA) where: Base-Base interactions energy: -147.876 where: short stacking energy: -60.017 Base-Backbone interact. energy: -0.843 local terms energy: -61.838213 where: bonds (distance) C4'-P energy: -17.652 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -10.726 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -11.868 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: 4 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -244.367632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.367632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.367632 (E_RNA) where: Base-Base interactions energy: -186.105 where: short stacking energy: -74.701 Base-Backbone interact. energy: -0.190 local terms energy: -58.072090 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -14.693 flat angles C4'-P-C4' energy: -9.402 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -14.297 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: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -98.600131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.600131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.600131 (E_RNA) where: Base-Base interactions energy: -47.982 where: short stacking energy: -45.245 Base-Backbone interact. energy: 0.135 local terms energy: -50.753238 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -289.988002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.988002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.988002 (E_RNA) where: Base-Base interactions energy: -207.431 where: short stacking energy: -86.400 Base-Backbone interact. energy: -0.873 local terms energy: -81.684140 where: bonds (distance) C4'-P energy: -15.656 bonds (distance) P-C4' energy: -14.580 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -14.429 tors. eta vs tors. theta energy: -20.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -284.838545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.838545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.838545 (E_RNA) where: Base-Base interactions energy: -205.625 where: short stacking energy: -87.203 Base-Backbone interact. energy: -0.213 local terms energy: -79.000601 where: bonds (distance) C4'-P energy: -15.968 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -15.679 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -20.865 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: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -277.932603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.932603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.932603 (E_RNA) where: Base-Base interactions energy: -194.169 where: short stacking energy: -82.266 Base-Backbone interact. energy: -0.096 local terms energy: -83.667438 where: bonds (distance) C4'-P energy: -15.869 bonds (distance) P-C4' energy: -17.216 flat angles C4'-P-C4' energy: -17.943 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -21.500 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: 381 Temperature: 1.050000 Total energy: -267.756968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.756968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.756968 (E_RNA) where: Base-Base interactions energy: -196.063 where: short stacking energy: -75.612 Base-Backbone interact. energy: -0.186 local terms energy: -71.507886 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -15.879 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: 2 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -265.654595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.654595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.654595 (E_RNA) where: Base-Base interactions energy: -185.768 where: short stacking energy: -75.979 Base-Backbone interact. energy: -0.407 local terms energy: -79.479599 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -18.841 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -18.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -217.651963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.651963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.651963 (E_RNA) where: Base-Base interactions energy: -145.406 where: short stacking energy: -70.241 Base-Backbone interact. energy: -0.096 local terms energy: -72.149850 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -17.155 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -17.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -252.091908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.091908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.091908 (E_RNA) where: Base-Base interactions energy: -171.981 where: short stacking energy: -62.178 Base-Backbone interact. energy: -0.130 local terms energy: -79.981148 where: bonds (distance) C4'-P energy: -16.597 bonds (distance) P-C4' energy: -18.774 flat angles C4'-P-C4' energy: -17.342 flat angles P-C4'-P energy: -12.427 tors. eta vs tors. theta energy: -14.841 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: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -245.187348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -245.187348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -245.187348 (E_RNA) where: Base-Base interactions energy: -175.546 where: short stacking energy: -66.873 Base-Backbone interact. energy: 0.435 local terms energy: -70.075946 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -16.552 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -12.839 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: 381 Temperature: 1.300000 Total energy: -201.628668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.628668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.628668 (E_RNA) where: Base-Base interactions energy: -138.332 where: short stacking energy: -68.569 Base-Backbone interact. energy: 0.337 local terms energy: -63.632904 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -16.105 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -12.171 tors. eta vs tors. theta energy: -10.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -104.424080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.424080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.424080 (E_RNA) where: Base-Base interactions energy: -53.891 where: short stacking energy: -50.007 Base-Backbone interact. energy: 1.232 local terms energy: -51.765089 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -8.630 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: 1, replica: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -285.857460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.857460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.857460 (E_RNA) where: Base-Base interactions energy: -206.633 where: short stacking energy: -87.253 Base-Backbone interact. energy: 1.828 local terms energy: -81.052301 where: bonds (distance) C4'-P energy: -18.568 bonds (distance) P-C4' energy: -16.426 flat angles C4'-P-C4' energy: -15.939 flat angles P-C4'-P energy: -10.054 tors. eta vs tors. theta energy: -20.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -274.928850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.928850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.928850 (E_RNA) where: Base-Base interactions energy: -194.099 where: short stacking energy: -82.001 Base-Backbone interact. energy: -0.460 local terms energy: -80.369939 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -17.478 flat angles C4'-P-C4' energy: -16.098 flat angles P-C4'-P energy: -12.810 tors. eta vs tors. theta energy: -19.958 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: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -271.598765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.598765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.598765 (E_RNA) where: Base-Base interactions energy: -193.201 where: short stacking energy: -78.153 Base-Backbone interact. energy: -0.120 local terms energy: -78.277584 where: bonds (distance) C4'-P energy: -17.674 bonds (distance) P-C4' energy: -17.837 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -15.395 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: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -271.532409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.532409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.532409 (E_RNA) where: Base-Base interactions energy: -190.090 where: short stacking energy: -80.311 Base-Backbone interact. energy: -0.841 local terms energy: -80.601227 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -18.329 flat angles C4'-P-C4' energy: -16.844 flat angles P-C4'-P energy: -11.869 tors. eta vs tors. theta energy: -19.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -269.068613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.068613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.068613 (E_RNA) where: Base-Base interactions energy: -187.747 where: short stacking energy: -77.828 Base-Backbone interact. energy: -0.222 local terms energy: -81.099219 where: bonds (distance) C4'-P energy: -17.318 bonds (distance) P-C4' energy: -17.403 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -9.526 tors. eta vs tors. theta energy: -22.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -206.931240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.931240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.931240 (E_RNA) where: Base-Base interactions energy: -129.198 where: short stacking energy: -62.151 Base-Backbone interact. energy: -0.036 local terms energy: -77.696690 where: bonds (distance) C4'-P energy: -16.084 bonds (distance) P-C4' energy: -17.788 flat angles C4'-P-C4' energy: -18.568 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -14.319 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: 5 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -217.297062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.297062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.297062 (E_RNA) where: Base-Base interactions energy: -139.023 where: short stacking energy: -72.819 Base-Backbone interact. energy: -0.232 local terms energy: -78.041793 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -22.526 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: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -189.493073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.493073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.493073 (E_RNA) where: Base-Base interactions energy: -130.530 where: short stacking energy: -60.199 Base-Backbone interact. energy: -0.110 local terms energy: -58.853081 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -16.816 flat angles P-C4'-P energy: -5.643 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: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -201.332252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.332252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.332252 (E_RNA) where: Base-Base interactions energy: -134.712 where: short stacking energy: -57.976 Base-Backbone interact. energy: -0.069 local terms energy: -66.550622 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -19.552 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -13.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -116.923606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.923606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.923606 (E_RNA) where: Base-Base interactions energy: -64.472 where: short stacking energy: -32.436 Base-Backbone interact. energy: -0.395 local terms energy: -52.057348 where: bonds (distance) C4'-P energy: -15.902 bonds (distance) P-C4' energy: -15.680 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -7.319 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: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -292.988765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.988765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.988765 (E_RNA) where: Base-Base interactions energy: -212.384 where: short stacking energy: -90.463 Base-Backbone interact. energy: -0.191 local terms energy: -80.414171 where: bonds (distance) C4'-P energy: -17.656 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -18.032 flat angles P-C4'-P energy: -12.352 tors. eta vs tors. theta energy: -18.789 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: 10 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -285.118132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.118132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.118132 (E_RNA) where: Base-Base interactions energy: -201.845 where: short stacking energy: -79.104 Base-Backbone interact. energy: -0.280 local terms energy: -82.993077 where: bonds (distance) C4'-P energy: -15.659 bonds (distance) P-C4' energy: -18.795 flat angles C4'-P-C4' energy: -17.511 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -23.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -272.874046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.874046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.874046 (E_RNA) where: Base-Base interactions energy: -196.642 where: short stacking energy: -85.279 Base-Backbone interact. energy: -0.398 local terms energy: -75.834936 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -15.682 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -12.054 tors. eta vs tors. theta energy: -17.615 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: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -269.449213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.449213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.449213 (E_RNA) where: Base-Base interactions energy: -190.249 where: short stacking energy: -76.751 Base-Backbone interact. energy: -0.190 local terms energy: -79.009421 where: bonds (distance) C4'-P energy: -15.479 bonds (distance) P-C4' energy: -17.816 flat angles C4'-P-C4' energy: -17.940 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -16.693 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: 383 Temperature: 1.100000 Total energy: -267.097008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.097008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.097008 (E_RNA) where: Base-Base interactions energy: -189.813 where: short stacking energy: -78.486 Base-Backbone interact. energy: 0.166 local terms energy: -77.450299 where: bonds (distance) C4'-P energy: -16.981 bonds (distance) P-C4' energy: -16.198 flat angles C4'-P-C4' energy: -16.523 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -16.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -235.896357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.896357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.896357 (E_RNA) where: Base-Base interactions energy: -169.571 where: short stacking energy: -71.947 Base-Backbone interact. energy: 1.024 local terms energy: -67.348735 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -15.505 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -16.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -216.800597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.800597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.800597 (E_RNA) where: Base-Base interactions energy: -142.478 where: short stacking energy: -72.098 Base-Backbone interact. energy: -0.004 local terms energy: -74.319203 where: bonds (distance) C4'-P energy: -15.624 bonds (distance) P-C4' energy: -18.655 flat angles C4'-P-C4' energy: -14.745 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -18.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -204.574457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.574457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.574457 (E_RNA) where: Base-Base interactions energy: -134.526 where: short stacking energy: -67.455 Base-Backbone interact. energy: -0.108 local terms energy: -69.940897 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -19.215 flat angles C4'-P-C4' energy: -16.198 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -172.838569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.838569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.838569 (E_RNA) where: Base-Base interactions energy: -111.640 where: short stacking energy: -48.488 Base-Backbone interact. energy: -0.233 local terms energy: -60.965491 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -18.551 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -6.918 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: 383 Temperature: 1.350000 Total energy: -112.722251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.722251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.722251 (E_RNA) where: Base-Base interactions energy: -56.449 where: short stacking energy: -40.354 Base-Backbone interact. energy: -0.317 local terms energy: -55.955919 where: bonds (distance) C4'-P energy: -15.401 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -11.544 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -284.561280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.561280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.561280 (E_RNA) where: Base-Base interactions energy: -203.045 where: short stacking energy: -90.229 Base-Backbone interact. energy: -0.268 local terms energy: -81.248043 where: bonds (distance) C4'-P energy: -16.663 bonds (distance) P-C4' energy: -17.514 flat angles C4'-P-C4' energy: -16.456 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -21.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -287.874498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.874498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.874498 (E_RNA) where: Base-Base interactions energy: -206.867 where: short stacking energy: -84.049 Base-Backbone interact. energy: -0.603 local terms energy: -80.404710 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -18.290 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -19.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -277.475990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.475990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.475990 (E_RNA) where: Base-Base interactions energy: -197.349 where: short stacking energy: -75.838 Base-Backbone interact. energy: -0.971 local terms energy: -79.156410 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -16.867 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -13.339 tors. eta vs tors. theta energy: -17.408 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: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -284.013672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.013672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.013672 (E_RNA) where: Base-Base interactions energy: -205.737 where: short stacking energy: -87.514 Base-Backbone interact. energy: -0.099 local terms energy: -78.177136 where: bonds (distance) C4'-P energy: -15.600 bonds (distance) P-C4' energy: -14.098 flat angles C4'-P-C4' energy: -18.289 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -19.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -268.872448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.872448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.872448 (E_RNA) where: Base-Base interactions energy: -193.960 where: short stacking energy: -84.479 Base-Backbone interact. energy: -2.060 local terms energy: -72.852471 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -16.514 flat angles C4'-P-C4' energy: -16.920 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -20.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -243.065885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.065885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.065885 (E_RNA) where: Base-Base interactions energy: -156.437 where: short stacking energy: -78.090 Base-Backbone interact. energy: -0.004 local terms energy: -86.625243 where: bonds (distance) C4'-P energy: -14.299 bonds (distance) P-C4' energy: -19.736 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -13.233 tors. eta vs tors. theta energy: -23.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -210.547173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.547173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.547173 (E_RNA) where: Base-Base interactions energy: -140.303 where: short stacking energy: -73.866 Base-Backbone interact. energy: -0.039 local terms energy: -70.205537 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -11.313 flat angles C4'-P-C4' energy: -18.513 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -15.645 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: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -216.103773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.103773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.103773 (E_RNA) where: Base-Base interactions energy: -150.199 where: short stacking energy: -70.497 Base-Backbone interact. energy: -0.292 local terms energy: -65.612595 where: bonds (distance) C4'-P energy: -9.653 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -18.624 flat angles P-C4'-P energy: -7.757 tors. eta vs tors. theta energy: -17.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -168.656195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.656195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.656195 (E_RNA) where: Base-Base interactions energy: -107.342 where: short stacking energy: -46.404 Base-Backbone interact. energy: -0.295 local terms energy: -61.018273 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -12.584 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: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -114.350795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.350795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.350795 (E_RNA) where: Base-Base interactions energy: -48.320 where: short stacking energy: -48.320 Base-Backbone interact. energy: -0.168 local terms energy: -65.862829 where: bonds (distance) C4'-P energy: -15.508 bonds (distance) P-C4' energy: -16.126 flat angles C4'-P-C4' energy: -17.361 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -9.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -289.210247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.210247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.210247 (E_RNA) where: Base-Base interactions energy: -206.596 where: short stacking energy: -87.054 Base-Backbone interact. energy: -1.493 local terms energy: -81.121449 where: bonds (distance) C4'-P energy: -17.137 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -17.380 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -17.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -284.247527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.247527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.247527 (E_RNA) where: Base-Base interactions energy: -205.205 where: short stacking energy: -85.368 Base-Backbone interact. energy: -0.110 local terms energy: -78.933034 where: bonds (distance) C4'-P energy: -18.041 bonds (distance) P-C4' energy: -18.143 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -19.619 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: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -273.615740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.615740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.615740 (E_RNA) where: Base-Base interactions energy: -198.114 where: short stacking energy: -82.741 Base-Backbone interact. energy: -0.350 local terms energy: -75.151327 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -19.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -271.982594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.982594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.982594 (E_RNA) where: Base-Base interactions energy: -187.304 where: short stacking energy: -79.361 Base-Backbone interact. energy: -0.490 local terms energy: -84.188777 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -18.883 flat angles C4'-P-C4' energy: -18.119 flat angles P-C4'-P energy: -13.551 tors. eta vs tors. theta energy: -21.361 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: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -268.450085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.450085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.450085 (E_RNA) where: Base-Base interactions energy: -185.753 where: short stacking energy: -78.828 Base-Backbone interact. energy: -0.110 local terms energy: -82.587692 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -17.499 flat angles C4'-P-C4' energy: -18.530 flat angles P-C4'-P energy: -10.008 tors. eta vs tors. theta energy: -20.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -229.000634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.000634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.000634 (E_RNA) where: Base-Base interactions energy: -148.390 where: short stacking energy: -79.179 Base-Backbone interact. energy: -0.007 local terms energy: -80.603976 where: bonds (distance) C4'-P energy: -16.481 bonds (distance) P-C4' energy: -17.337 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -21.692 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: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -205.851333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.851333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.851333 (E_RNA) where: Base-Base interactions energy: -130.713 where: short stacking energy: -60.413 Base-Backbone interact. energy: -0.105 local terms energy: -75.032709 where: bonds (distance) C4'-P energy: -17.156 bonds (distance) P-C4' energy: -16.126 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -16.594 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: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -217.064930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.064930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.064930 (E_RNA) where: Base-Base interactions energy: -148.467 where: short stacking energy: -71.831 Base-Backbone interact. energy: 0.076 local terms energy: -68.673655 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -14.742 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -15.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -182.482313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.482313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.482313 (E_RNA) where: Base-Base interactions energy: -123.649 where: short stacking energy: -49.598 Base-Backbone interact. energy: -0.165 local terms energy: -58.668561 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -14.492 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -7.713 tors. eta vs tors. theta energy: -10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -99.095182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.095182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.095182 (E_RNA) where: Base-Base interactions energy: -50.984 where: short stacking energy: -34.474 Base-Backbone interact. energy: -0.552 local terms energy: -47.558898 where: bonds (distance) C4'-P energy: -15.387 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: 1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -288.717934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.717934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.717934 (E_RNA) where: Base-Base interactions energy: -205.924 where: short stacking energy: -87.859 Base-Backbone interact. energy: -0.325 local terms energy: -82.468524 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -16.480 flat angles P-C4'-P energy: -14.950 tors. eta vs tors. theta energy: -18.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -285.259365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.259365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.259365 (E_RNA) where: Base-Base interactions energy: -205.236 where: short stacking energy: -89.487 Base-Backbone interact. energy: -0.998 local terms energy: -79.025907 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -16.940 flat angles C4'-P-C4' energy: -18.460 flat angles P-C4'-P energy: -11.755 tors. eta vs tors. theta energy: -22.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -278.033446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.033446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.033446 (E_RNA) where: Base-Base interactions energy: -195.163 where: short stacking energy: -79.266 Base-Backbone interact. energy: -0.129 local terms energy: -82.741744 where: bonds (distance) C4'-P energy: -17.918 bonds (distance) P-C4' energy: -16.845 flat angles C4'-P-C4' energy: -17.901 flat angles P-C4'-P energy: -12.208 tors. eta vs tors. theta energy: -17.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -272.757035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.757035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.757035 (E_RNA) where: Base-Base interactions energy: -197.187 where: short stacking energy: -79.271 Base-Backbone interact. energy: -0.157 local terms energy: -75.412843 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -10.876 tors. eta vs tors. theta energy: -18.586 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: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -270.425803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.425803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.425803 (E_RNA) where: Base-Base interactions energy: -193.653 where: short stacking energy: -88.613 Base-Backbone interact. energy: -0.525 local terms energy: -76.247595 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -19.012 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -19.439 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: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -228.590166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.590166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.590166 (E_RNA) where: Base-Base interactions energy: -153.758 where: short stacking energy: -81.243 Base-Backbone interact. energy: -0.000 local terms energy: -74.831395 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -15.430 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: -22.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -216.704830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.704830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.704830 (E_RNA) where: Base-Base interactions energy: -142.939 where: short stacking energy: -71.758 Base-Backbone interact. energy: -0.613 local terms energy: -73.152595 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -17.424 flat angles P-C4'-P energy: -13.013 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -199.595499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.595499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.595499 (E_RNA) where: Base-Base interactions energy: -136.220 where: short stacking energy: -64.428 Base-Backbone interact. energy: 0.196 local terms energy: -63.572083 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -15.086 flat angles P-C4'-P energy: -9.095 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -119.429159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.429159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.429159 (E_RNA) where: Base-Base interactions energy: -65.561 where: short stacking energy: -43.353 Base-Backbone interact. energy: -0.062 local terms energy: -53.805643 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -9.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -120.207089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.207089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.207089 (E_RNA) where: Base-Base interactions energy: -74.316 where: short stacking energy: -34.706 Base-Backbone interact. energy: -0.338 local terms energy: -45.553433 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -9.586 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: 1, replica: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -279.154656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.154656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.154656 (E_RNA) where: Base-Base interactions energy: -195.493 where: short stacking energy: -83.966 Base-Backbone interact. energy: -0.087 local terms energy: -83.575035 where: bonds (distance) C4'-P energy: -17.586 bonds (distance) P-C4' energy: -19.986 flat angles C4'-P-C4' energy: -15.926 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -20.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -279.811276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.811276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.811276 (E_RNA) where: Base-Base interactions energy: -204.863 where: short stacking energy: -88.489 Base-Backbone interact. energy: -1.159 local terms energy: -73.789295 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -16.354 flat angles P-C4'-P energy: -12.582 tors. eta vs tors. theta energy: -16.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -274.302835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.302835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.302835 (E_RNA) where: Base-Base interactions energy: -194.773 where: short stacking energy: -79.579 Base-Backbone interact. energy: -0.115 local terms energy: -79.414451 where: bonds (distance) C4'-P energy: -18.119 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -15.456 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -20.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -275.061231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.061231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.061231 (E_RNA) where: Base-Base interactions energy: -197.936 where: short stacking energy: -77.757 Base-Backbone interact. energy: -0.516 local terms energy: -76.608919 where: bonds (distance) C4'-P energy: -16.923 bonds (distance) P-C4' energy: -16.646 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -18.323 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: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -263.858744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.858744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.858744 (E_RNA) where: Base-Base interactions energy: -188.010 where: short stacking energy: -78.638 Base-Backbone interact. energy: -0.094 local terms energy: -75.753912 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -17.578 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -18.551 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: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -219.546828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.546828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.546828 (E_RNA) where: Base-Base interactions energy: -151.722 where: short stacking energy: -71.716 Base-Backbone interact. energy: -0.112 local terms energy: -67.712938 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -16.061 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: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -219.045292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.045292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.045292 (E_RNA) where: Base-Base interactions energy: -149.213 where: short stacking energy: -73.863 Base-Backbone interact. energy: -0.037 local terms energy: -69.795787 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -17.153 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -18.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -201.195349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.195349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.195349 (E_RNA) where: Base-Base interactions energy: -138.029 where: short stacking energy: -61.965 Base-Backbone interact. energy: 2.486 local terms energy: -65.652199 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -14.027 flat angles C4'-P-C4' energy: -15.989 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -13.131 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: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -115.696344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.696344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.696344 (E_RNA) where: Base-Base interactions energy: -61.966 where: short stacking energy: -33.329 Base-Backbone interact. energy: -0.127 local terms energy: -53.603482 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -14.524 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -118.716828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.716828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.716828 (E_RNA) where: Base-Base interactions energy: -68.683 where: short stacking energy: -43.041 Base-Backbone interact. energy: -0.204 local terms energy: -49.830505 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: 1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -278.281917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.281917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.281917 (E_RNA) where: Base-Base interactions energy: -199.686 where: short stacking energy: -83.467 Base-Backbone interact. energy: 1.218 local terms energy: -79.813732 where: bonds (distance) C4'-P energy: -14.133 bonds (distance) P-C4' energy: -17.203 flat angles C4'-P-C4' energy: -17.920 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -19.379 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: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -285.652760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.652760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.652760 (E_RNA) where: Base-Base interactions energy: -201.344 where: short stacking energy: -89.645 Base-Backbone interact. energy: -2.408 local terms energy: -81.900562 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -17.618 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -13.264 tors. eta vs tors. theta energy: -18.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -270.434201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.434201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.434201 (E_RNA) where: Base-Base interactions energy: -184.046 where: short stacking energy: -73.514 Base-Backbone interact. energy: -0.107 local terms energy: -86.281720 where: bonds (distance) C4'-P energy: -17.403 bonds (distance) P-C4' energy: -17.030 flat angles C4'-P-C4' energy: -18.307 flat angles P-C4'-P energy: -16.046 tors. eta vs tors. theta energy: -17.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -277.344196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.344196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.344196 (E_RNA) where: Base-Base interactions energy: -206.974 where: short stacking energy: -91.319 Base-Backbone interact. energy: -0.099 local terms energy: -70.271705 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -13.065 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -20.978 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: 5, replica: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -264.178770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.178770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.178770 (E_RNA) where: Base-Base interactions energy: -186.970 where: short stacking energy: -80.721 Base-Backbone interact. energy: -0.199 local terms energy: -77.010680 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -17.886 flat angles C4'-P-C4' energy: -18.916 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -19.423 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: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -221.800746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.800746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.800746 (E_RNA) where: Base-Base interactions energy: -159.406 where: short stacking energy: -81.518 Base-Backbone interact. energy: -0.102 local terms energy: -62.292438 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -13.611 flat angles C4'-P-C4' energy: -9.757 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -18.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -210.153834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.153834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.153834 (E_RNA) where: Base-Base interactions energy: -144.680 where: short stacking energy: -65.693 Base-Backbone interact. energy: -0.116 local terms energy: -65.357461 where: bonds (distance) C4'-P energy: -16.522 bonds (distance) P-C4' energy: -12.061 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -15.102 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: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -204.894676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.894676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.894676 (E_RNA) where: Base-Base interactions energy: -137.093 where: short stacking energy: -64.780 Base-Backbone interact. energy: -0.118 local terms energy: -67.683512 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -19.492 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -11.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -108.684818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.684818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.684818 (E_RNA) where: Base-Base interactions energy: -56.164 where: short stacking energy: -54.060 Base-Backbone interact. energy: -0.112 local terms energy: -52.409170 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -9.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -79.860706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.860706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.860706 (E_RNA) where: Base-Base interactions energy: -32.948 where: short stacking energy: -28.946 Base-Backbone interact. energy: -0.446 local terms energy: -46.466312 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -18.583 flat angles C4'-P-C4' energy: -11.138 flat angles P-C4'-P energy: -6.525 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: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -285.323581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.323581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.323581 (E_RNA) where: Base-Base interactions energy: -204.741 where: short stacking energy: -84.776 Base-Backbone interact. energy: 1.318 local terms energy: -81.900906 where: bonds (distance) C4'-P energy: -18.542 bonds (distance) P-C4' energy: -16.556 flat angles C4'-P-C4' energy: -16.685 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -18.884 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: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -280.375840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.375840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.375840 (E_RNA) where: Base-Base interactions energy: -198.936 where: short stacking energy: -87.126 Base-Backbone interact. energy: 0.120 local terms energy: -81.559871 where: bonds (distance) C4'-P energy: -17.106 bonds (distance) P-C4' energy: -19.132 flat angles C4'-P-C4' energy: -16.365 flat angles P-C4'-P energy: -10.730 tors. eta vs tors. theta energy: -18.226 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: 389 Temperature: 1.000000 Total energy: -285.911514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.911514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.911514 (E_RNA) where: Base-Base interactions energy: -200.390 where: short stacking energy: -84.029 Base-Backbone interact. energy: -1.010 local terms energy: -84.512178 where: bonds (distance) C4'-P energy: -19.403 bonds (distance) P-C4' energy: -16.962 flat angles C4'-P-C4' energy: -17.533 flat angles P-C4'-P energy: -9.265 tors. eta vs tors. theta energy: -21.348 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: 389 Temperature: 1.050000 Total energy: -271.821621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.821621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.821621 (E_RNA) where: Base-Base interactions energy: -201.615 where: short stacking energy: -84.186 Base-Backbone interact. energy: -0.237 local terms energy: -69.969710 where: bonds (distance) C4'-P energy: -17.466 bonds (distance) P-C4' energy: -10.099 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -12.448 tors. eta vs tors. theta energy: -18.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -256.663489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.663489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.663489 (E_RNA) where: Base-Base interactions energy: -180.185 where: short stacking energy: -73.664 Base-Backbone interact. energy: -1.714 local terms energy: -74.765021 where: bonds (distance) C4'-P energy: -15.279 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -11.225 tors. eta vs tors. theta energy: -19.185 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: 389 Temperature: 1.150000 Total energy: -209.445635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.445635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.445635 (E_RNA) where: Base-Base interactions energy: -139.367 where: short stacking energy: -72.398 Base-Backbone interact. energy: -0.068 local terms energy: -70.010143 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -16.362 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -14.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -211.809407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.809407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.809407 (E_RNA) where: Base-Base interactions energy: -144.888 where: short stacking energy: -60.413 Base-Backbone interact. energy: -0.028 local terms energy: -66.893251 where: bonds (distance) C4'-P energy: -9.013 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -16.584 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: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -196.923287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.923287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.923287 (E_RNA) where: Base-Base interactions energy: -130.409 where: short stacking energy: -58.289 Base-Backbone interact. energy: -0.207 local terms energy: -66.307250 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -15.925 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -9.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -108.185923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.185923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.185923 (E_RNA) where: Base-Base interactions energy: -56.127 where: short stacking energy: -48.928 Base-Backbone interact. energy: -0.109 local terms energy: -51.950713 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -98.935869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.935869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.935869 (E_RNA) where: Base-Base interactions energy: -39.752 where: short stacking energy: -39.752 Base-Backbone interact. energy: -0.112 local terms energy: -59.072410 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -15.151 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -282.835160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.835160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.835160 (E_RNA) where: Base-Base interactions energy: -204.122 where: short stacking energy: -88.729 Base-Backbone interact. energy: -0.326 local terms energy: -78.386663 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -19.139 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -280.081853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.081853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.081853 (E_RNA) where: Base-Base interactions energy: -200.708 where: short stacking energy: -85.265 Base-Backbone interact. energy: -0.138 local terms energy: -79.236030 where: bonds (distance) C4'-P energy: -13.677 bonds (distance) P-C4' energy: -19.489 flat angles C4'-P-C4' energy: -17.236 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -18.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -276.135951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.135951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.135951 (E_RNA) where: Base-Base interactions energy: -203.174 where: short stacking energy: -88.968 Base-Backbone interact. energy: -0.155 local terms energy: -72.807219 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -18.314 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -20.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -263.140844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.140844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.140844 (E_RNA) where: Base-Base interactions energy: -188.268 where: short stacking energy: -80.729 Base-Backbone interact. energy: -0.004 local terms energy: -74.869250 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -22.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -267.840652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.840652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.840652 (E_RNA) where: Base-Base interactions energy: -190.224 where: short stacking energy: -74.896 Base-Backbone interact. energy: -0.144 local terms energy: -77.472406 where: bonds (distance) C4'-P energy: -17.927 bonds (distance) P-C4' energy: -15.748 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -19.379 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: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -258.533124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.533124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.533124 (E_RNA) where: Base-Base interactions energy: -181.664 where: short stacking energy: -81.065 Base-Backbone interact. energy: -0.845 local terms energy: -76.023360 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -17.205 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -11.284 tors. eta vs tors. theta energy: -17.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -207.597800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.597800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.597800 (E_RNA) where: Base-Base interactions energy: -143.101 where: short stacking energy: -60.825 Base-Backbone interact. energy: -0.181 local terms energy: -64.315912 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -12.099 flat angles C4'-P-C4' energy: -17.206 flat angles P-C4'-P energy: -12.108 tors. eta vs tors. theta energy: -12.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -221.889120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.889120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.889120 (E_RNA) where: Base-Base interactions energy: -154.985 where: short stacking energy: -59.254 Base-Backbone interact. energy: -0.126 local terms energy: -66.777926 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -17.515 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -14.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -105.650030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.650030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.650030 (E_RNA) where: Base-Base interactions energy: -56.114 where: short stacking energy: -56.114 Base-Backbone interact. energy: -0.001 local terms energy: -49.535153 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -12.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -121.776573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.776573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.776573 (E_RNA) where: Base-Base interactions energy: -68.651 where: short stacking energy: -39.998 Base-Backbone interact. energy: -0.134 local terms energy: -52.991325 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -15.146 flat angles P-C4'-P energy: -7.742 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: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -286.648237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.648237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.648237 (E_RNA) where: Base-Base interactions energy: -206.930 where: short stacking energy: -90.171 Base-Backbone interact. energy: -1.362 local terms energy: -78.356461 where: bonds (distance) C4'-P energy: -16.522 bonds (distance) P-C4' energy: -16.177 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -20.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -277.772242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.772242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.772242 (E_RNA) where: Base-Base interactions energy: -199.814 where: short stacking energy: -85.333 Base-Backbone interact. energy: -0.135 local terms energy: -77.823618 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -18.027 flat angles P-C4'-P energy: -12.446 tors. eta vs tors. theta energy: -18.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -278.492654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.492654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.492654 (E_RNA) where: Base-Base interactions energy: -197.825 where: short stacking energy: -82.609 Base-Backbone interact. energy: -0.123 local terms energy: -80.544028 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -17.741 flat angles C4'-P-C4' energy: -17.436 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -19.768 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: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -271.159219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.159219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.159219 (E_RNA) where: Base-Base interactions energy: -194.998 where: short stacking energy: -82.413 Base-Backbone interact. energy: -0.125 local terms energy: -76.036613 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -18.106 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -21.298 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: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -272.907775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.907775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.907775 (E_RNA) where: Base-Base interactions energy: -198.418 where: short stacking energy: -87.986 Base-Backbone interact. energy: -0.499 local terms energy: -73.991142 where: bonds (distance) C4'-P energy: -15.539 bonds (distance) P-C4' energy: -12.474 flat angles C4'-P-C4' energy: -18.270 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -19.746 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: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -259.140242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.140242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.140242 (E_RNA) where: Base-Base interactions energy: -183.294 where: short stacking energy: -80.479 Base-Backbone interact. energy: -0.467 local terms energy: -75.379121 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -18.823 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -17.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -219.928197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.928197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.928197 (E_RNA) where: Base-Base interactions energy: -144.725 where: short stacking energy: -75.846 Base-Backbone interact. energy: -0.001 local terms energy: -75.202807 where: bonds (distance) C4'-P energy: -17.574 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -18.161 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -21.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -244.196122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.196122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.196122 (E_RNA) where: Base-Base interactions energy: -169.696 where: short stacking energy: -67.058 Base-Backbone interact. energy: -0.774 local terms energy: -73.725976 where: bonds (distance) C4'-P energy: -18.015 bonds (distance) P-C4' energy: -17.691 flat angles C4'-P-C4' energy: -16.849 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -15.164 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: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -115.845084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.845084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.845084 (E_RNA) where: Base-Base interactions energy: -67.767 where: short stacking energy: -46.192 Base-Backbone interact. energy: -0.281 local terms energy: -47.797325 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -7.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -112.281035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.281035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.281035 (E_RNA) where: Base-Base interactions energy: -53.239 where: short stacking energy: -26.934 Base-Backbone interact. energy: -0.155 local terms energy: -58.886575 where: bonds (distance) C4'-P energy: -15.018 bonds (distance) P-C4' energy: -17.146 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -284.282849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.282849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.282849 (E_RNA) where: Base-Base interactions energy: -205.115 where: short stacking energy: -84.638 Base-Backbone interact. energy: -0.289 local terms energy: -78.879373 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -18.479 flat angles P-C4'-P energy: -11.772 tors. eta vs tors. theta energy: -21.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -284.237456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.237456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.237456 (E_RNA) where: Base-Base interactions energy: -203.030 where: short stacking energy: -86.881 Base-Backbone interact. energy: -0.909 local terms energy: -80.298463 where: bonds (distance) C4'-P energy: -15.561 bonds (distance) P-C4' energy: -15.517 flat angles C4'-P-C4' energy: -19.317 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -20.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -282.697215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.697215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.697215 (E_RNA) where: Base-Base interactions energy: -202.330 where: short stacking energy: -86.634 Base-Backbone interact. energy: -0.103 local terms energy: -80.264280 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -16.755 flat angles C4'-P-C4' energy: -18.374 flat angles P-C4'-P energy: -11.936 tors. eta vs tors. theta energy: -20.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -265.769751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.769751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.769751 (E_RNA) where: Base-Base interactions energy: -187.811 where: short stacking energy: -78.179 Base-Backbone interact. energy: -0.142 local terms energy: -77.816637 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -16.547 flat angles C4'-P-C4' energy: -18.607 flat angles P-C4'-P energy: -11.672 tors. eta vs tors. theta energy: -15.407 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: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -270.987156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.987156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.987156 (E_RNA) where: Base-Base interactions energy: -195.281 where: short stacking energy: -83.185 Base-Backbone interact. energy: 0.817 local terms energy: -76.522986 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -22.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -255.112821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.112821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.112821 (E_RNA) where: Base-Base interactions energy: -173.584 where: short stacking energy: -67.887 Base-Backbone interact. energy: -0.529 local terms energy: -81.000041 where: bonds (distance) C4'-P energy: -16.732 bonds (distance) P-C4' energy: -19.256 flat angles C4'-P-C4' energy: -18.033 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -15.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -219.338745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.338745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.338745 (E_RNA) where: Base-Base interactions energy: -144.196 where: short stacking energy: -77.183 Base-Backbone interact. energy: 0.414 local terms energy: -75.556954 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -16.969 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -10.628 tors. eta vs tors. theta energy: -19.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -197.774862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.774862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.774862 (E_RNA) where: Base-Base interactions energy: -133.543 where: short stacking energy: -53.516 Base-Backbone interact. energy: -0.471 local terms energy: -63.760880 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -16.296 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -9.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -108.140377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.140377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.140377 (E_RNA) where: Base-Base interactions energy: -50.339 where: short stacking energy: -46.044 Base-Backbone interact. energy: -0.214 local terms energy: -57.586958 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -17.346 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -11.636 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: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -100.007408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.007408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.007408 (E_RNA) where: Base-Base interactions energy: -42.385 where: short stacking energy: -38.269 Base-Backbone interact. energy: -0.436 local terms energy: -57.186738 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -17.205 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -7.825 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: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -282.935451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.935451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.935451 (E_RNA) where: Base-Base interactions energy: -200.065 where: short stacking energy: -83.701 Base-Backbone interact. energy: 0.732 local terms energy: -83.602087 where: bonds (distance) C4'-P energy: -19.457 bonds (distance) P-C4' energy: -18.170 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -18.226 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: 393 Temperature: 0.950000 Total energy: -279.674256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.674256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.674256 (E_RNA) where: Base-Base interactions energy: -195.445 where: short stacking energy: -81.325 Base-Backbone interact. energy: -2.000 local terms energy: -82.228660 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -14.890 tors. eta vs tors. theta energy: -21.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -277.724730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.724730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.724730 (E_RNA) where: Base-Base interactions energy: -199.424 where: short stacking energy: -79.665 Base-Backbone interact. energy: -0.141 local terms energy: -78.160451 where: bonds (distance) C4'-P energy: -16.013 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -17.099 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -19.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -274.444821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.444821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.444821 (E_RNA) where: Base-Base interactions energy: -189.191 where: short stacking energy: -87.167 Base-Backbone interact. energy: -0.168 local terms energy: -85.086210 where: bonds (distance) C4'-P energy: -16.220 bonds (distance) P-C4' energy: -18.171 flat angles C4'-P-C4' energy: -18.414 flat angles P-C4'-P energy: -12.829 tors. eta vs tors. theta energy: -19.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -260.185239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.185239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.185239 (E_RNA) where: Base-Base interactions energy: -192.330 where: short stacking energy: -80.257 Base-Backbone interact. energy: -0.128 local terms energy: -67.727295 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -3.874 tors. eta vs tors. theta energy: -18.815 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: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -213.053353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.053353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.053353 (E_RNA) where: Base-Base interactions energy: -142.054 where: short stacking energy: -62.312 Base-Backbone interact. energy: -0.132 local terms energy: -70.866519 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -15.648 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -14.076 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: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -261.947553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.947553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.947553 (E_RNA) where: Base-Base interactions energy: -183.016 where: short stacking energy: -75.739 Base-Backbone interact. energy: -0.652 local terms energy: -78.278732 where: bonds (distance) C4'-P energy: -19.453 bonds (distance) P-C4' energy: -13.538 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -13.178 tors. eta vs tors. theta energy: -20.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -242.839160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.839160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.839160 (E_RNA) where: Base-Base interactions energy: -179.406 where: short stacking energy: -79.027 Base-Backbone interact. energy: -0.050 local terms energy: -63.382801 where: bonds (distance) C4'-P energy: -10.359 bonds (distance) P-C4' energy: -13.667 flat angles C4'-P-C4' energy: -17.532 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -18.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -110.903120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.903120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.903120 (E_RNA) where: Base-Base interactions energy: -62.896 where: short stacking energy: -40.252 Base-Backbone interact. energy: 1.915 local terms energy: -49.922835 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -4.740 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: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -141.606852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.606852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.606852 (E_RNA) where: Base-Base interactions energy: -89.838 where: short stacking energy: -48.727 Base-Backbone interact. energy: -0.473 local terms energy: -51.295446 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -7.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -283.034167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.034167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.034167 (E_RNA) where: Base-Base interactions energy: -202.173 where: short stacking energy: -83.465 Base-Backbone interact. energy: -0.394 local terms energy: -80.467051 where: bonds (distance) C4'-P energy: -16.960 bonds (distance) P-C4' energy: -19.976 flat angles C4'-P-C4' energy: -19.987 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -16.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -282.152316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.152316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.152316 (E_RNA) where: Base-Base interactions energy: -199.525 where: short stacking energy: -82.513 Base-Backbone interact. energy: -0.098 local terms energy: -82.529029 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -15.864 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -14.368 tors. eta vs tors. theta energy: -21.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -278.503613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.503613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.503613 (E_RNA) where: Base-Base interactions energy: -198.819 where: short stacking energy: -85.597 Base-Backbone interact. energy: 0.870 local terms energy: -80.554528 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -17.734 flat angles P-C4'-P energy: -13.189 tors. eta vs tors. theta energy: -17.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -269.359822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.359822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.359822 (E_RNA) where: Base-Base interactions energy: -191.794 where: short stacking energy: -73.533 Base-Backbone interact. energy: -0.126 local terms energy: -77.439214 where: bonds (distance) C4'-P energy: -14.994 bonds (distance) P-C4' energy: -13.841 flat angles C4'-P-C4' energy: -16.616 flat angles P-C4'-P energy: -15.908 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -269.995750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.995750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.995750 (E_RNA) where: Base-Base interactions energy: -184.468 where: short stacking energy: -78.892 Base-Backbone interact. energy: -1.227 local terms energy: -84.301161 where: bonds (distance) C4'-P energy: -16.813 bonds (distance) P-C4' energy: -18.246 flat angles C4'-P-C4' energy: -18.962 flat angles P-C4'-P energy: -10.042 tors. eta vs tors. theta energy: -20.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -207.851006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.851006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.851006 (E_RNA) where: Base-Base interactions energy: -141.812 where: short stacking energy: -63.016 Base-Backbone interact. energy: -0.042 local terms energy: -65.997007 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -18.088 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -13.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -249.876374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.876374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.876374 (E_RNA) where: Base-Base interactions energy: -177.137 where: short stacking energy: -75.178 Base-Backbone interact. energy: 0.164 local terms energy: -72.903300 where: bonds (distance) C4'-P energy: -15.631 bonds (distance) P-C4' energy: -17.377 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -16.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -259.433492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.433492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.433492 (E_RNA) where: Base-Base interactions energy: -188.870 where: short stacking energy: -79.421 Base-Backbone interact. energy: 2.349 local terms energy: -72.911949 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -16.750 flat angles C4'-P-C4' energy: -15.840 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -18.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -197.903594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.903594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.903594 (E_RNA) where: Base-Base interactions energy: -131.540 where: short stacking energy: -48.257 Base-Backbone interact. energy: -0.151 local terms energy: -66.212822 where: bonds (distance) C4'-P energy: -18.857 bonds (distance) P-C4' energy: -10.416 flat angles C4'-P-C4' energy: -15.558 flat angles P-C4'-P energy: -13.107 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -85.996763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.996763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.996763 (E_RNA) where: Base-Base interactions energy: -44.493 where: short stacking energy: -32.337 Base-Backbone interact. energy: -0.262 local terms energy: -41.241952 where: bonds (distance) C4'-P energy: -2.502 bonds (distance) P-C4' energy: -18.215 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -3.353 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: 1, replica: 1 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -284.872578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.872578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.872578 (E_RNA) where: Base-Base interactions energy: -201.564 where: short stacking energy: -78.887 Base-Backbone interact. energy: -0.112 local terms energy: -83.196530 where: bonds (distance) C4'-P energy: -19.101 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -17.845 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -20.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -288.349718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.349718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.349718 (E_RNA) where: Base-Base interactions energy: -208.926 where: short stacking energy: -87.855 Base-Backbone interact. energy: -0.154 local terms energy: -79.269434 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -17.210 flat angles C4'-P-C4' energy: -17.899 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -18.636 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: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -281.371871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.371871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.371871 (E_RNA) where: Base-Base interactions energy: -201.419 where: short stacking energy: -88.361 Base-Backbone interact. energy: -0.072 local terms energy: -79.880636 where: bonds (distance) C4'-P energy: -17.504 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -16.288 flat angles P-C4'-P energy: -10.756 tors. eta vs tors. theta energy: -19.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -273.135899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.135899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.135899 (E_RNA) where: Base-Base interactions energy: -194.982 where: short stacking energy: -84.127 Base-Backbone interact. energy: -0.098 local terms energy: -78.056472 where: bonds (distance) C4'-P energy: -18.542 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -12.746 tors. eta vs tors. theta energy: -19.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -272.760851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.760851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.760851 (E_RNA) where: Base-Base interactions energy: -197.091 where: short stacking energy: -80.413 Base-Backbone interact. energy: -0.573 local terms energy: -75.097103 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -12.054 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -20.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -259.789196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.789196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.789196 (E_RNA) where: Base-Base interactions energy: -186.060 where: short stacking energy: -79.168 Base-Backbone interact. energy: -0.626 local terms energy: -73.103500 where: bonds (distance) C4'-P energy: -16.018 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -17.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -213.892805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.892805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.892805 (E_RNA) where: Base-Base interactions energy: -143.674 where: short stacking energy: -74.472 Base-Backbone interact. energy: -0.036 local terms energy: -70.181820 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -17.661 flat angles C4'-P-C4' energy: -12.786 flat angles P-C4'-P energy: -11.252 tors. eta vs tors. theta energy: -15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -225.072102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.072102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.072102 (E_RNA) where: Base-Base interactions energy: -144.362 where: short stacking energy: -64.754 Base-Backbone interact. energy: -0.174 local terms energy: -80.536656 where: bonds (distance) C4'-P energy: -14.618 bonds (distance) P-C4' energy: -16.322 flat angles C4'-P-C4' energy: -17.210 flat angles P-C4'-P energy: -10.621 tors. eta vs tors. theta energy: -21.767 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: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -238.390252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.390252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.390252 (E_RNA) where: Base-Base interactions energy: -166.178 where: short stacking energy: -61.624 Base-Backbone interact. energy: 0.826 local terms energy: -73.037797 where: bonds (distance) C4'-P energy: -15.076 bonds (distance) P-C4' energy: -17.022 flat angles C4'-P-C4' energy: -13.422 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -16.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -99.181622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.181622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.181622 (E_RNA) where: Base-Base interactions energy: -56.085 where: short stacking energy: -33.357 Base-Backbone interact. energy: -0.452 local terms energy: -42.644700 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -283.703118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.703118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.703118 (E_RNA) where: Base-Base interactions energy: -199.065 where: short stacking energy: -84.593 Base-Backbone interact. energy: -0.462 local terms energy: -84.175677 where: bonds (distance) C4'-P energy: -17.681 bonds (distance) P-C4' energy: -16.726 flat angles C4'-P-C4' energy: -17.106 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -21.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -280.574275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.574275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.574275 (E_RNA) where: Base-Base interactions energy: -205.490 where: short stacking energy: -84.968 Base-Backbone interact. energy: 0.591 local terms energy: -75.674677 where: bonds (distance) C4'-P energy: -14.983 bonds (distance) P-C4' energy: -18.433 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -19.331 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: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -271.861593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.861593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.861593 (E_RNA) where: Base-Base interactions energy: -194.444 where: short stacking energy: -80.305 Base-Backbone interact. energy: -1.991 local terms energy: -75.426335 where: bonds (distance) C4'-P energy: -14.085 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -13.918 tors. eta vs tors. theta energy: -20.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -279.463517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.463517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.463517 (E_RNA) where: Base-Base interactions energy: -200.132 where: short stacking energy: -81.277 Base-Backbone interact. energy: -0.688 local terms energy: -78.643863 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -17.931 flat angles C4'-P-C4' energy: -17.083 flat angles P-C4'-P energy: -14.254 tors. eta vs tors. theta energy: -19.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -267.729814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.729814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.729814 (E_RNA) where: Base-Base interactions energy: -195.813 where: short stacking energy: -80.150 Base-Backbone interact. energy: -0.114 local terms energy: -71.803169 where: bonds (distance) C4'-P energy: -14.829 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -270.472878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.472878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.472878 (E_RNA) where: Base-Base interactions energy: -196.434 where: short stacking energy: -81.204 Base-Backbone interact. energy: -0.464 local terms energy: -73.574685 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -19.520 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -216.728104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.728104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.728104 (E_RNA) where: Base-Base interactions energy: -141.321 where: short stacking energy: -70.476 Base-Backbone interact. energy: -0.030 local terms energy: -75.377252 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -17.712 flat angles C4'-P-C4' energy: -15.352 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -17.476 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: 396 Temperature: 1.250000 Total energy: -202.606764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.606764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.606764 (E_RNA) where: Base-Base interactions energy: -142.533 where: short stacking energy: -62.099 Base-Backbone interact. energy: -0.015 local terms energy: -60.058938 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -4.477 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -12.587 tors. eta vs tors. theta energy: -15.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -249.201079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -249.201079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -249.201079 (E_RNA) where: Base-Base interactions energy: -187.168 where: short stacking energy: -78.015 Base-Backbone interact. energy: 0.681 local terms energy: -62.714509 where: bonds (distance) C4'-P energy: -9.392 bonds (distance) P-C4' energy: -12.267 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -7.588 tors. eta vs tors. theta energy: -18.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -114.376839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.376839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.376839 (E_RNA) where: Base-Base interactions energy: -54.511 where: short stacking energy: -40.440 Base-Backbone interact. energy: -0.168 local terms energy: -59.697203 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -16.763 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -8.575 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: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -284.480922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.480922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.480922 (E_RNA) where: Base-Base interactions energy: -198.171 where: short stacking energy: -80.977 Base-Backbone interact. energy: -0.123 local terms energy: -86.186067 where: bonds (distance) C4'-P energy: -19.254 bonds (distance) P-C4' energy: -16.431 flat angles C4'-P-C4' energy: -16.071 flat angles P-C4'-P energy: -12.177 tors. eta vs tors. theta energy: -22.254 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: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -277.412584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.412584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.412584 (E_RNA) where: Base-Base interactions energy: -190.975 where: short stacking energy: -82.238 Base-Backbone interact. energy: -0.190 local terms energy: -86.247628 where: bonds (distance) C4'-P energy: -16.534 bonds (distance) P-C4' energy: -20.025 flat angles C4'-P-C4' energy: -17.618 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -21.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -277.687282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.687282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.687282 (E_RNA) where: Base-Base interactions energy: -196.456 where: short stacking energy: -83.234 Base-Backbone interact. energy: -0.425 local terms energy: -80.806131 where: bonds (distance) C4'-P energy: -16.971 bonds (distance) P-C4' energy: -16.803 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: -17.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -274.131992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.131992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.131992 (E_RNA) where: Base-Base interactions energy: -195.949 where: short stacking energy: -82.676 Base-Backbone interact. energy: -0.085 local terms energy: -78.097624 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -18.189 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -7.977 tors. eta vs tors. theta energy: -21.058 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: 5, replica: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -271.637105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.637105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.637105 (E_RNA) where: Base-Base interactions energy: -197.912 where: short stacking energy: -84.376 Base-Backbone interact. energy: -0.700 local terms energy: -73.025437 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -19.281 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -18.252 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: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -265.712521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.712521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.712521 (E_RNA) where: Base-Base interactions energy: -190.493 where: short stacking energy: -80.128 Base-Backbone interact. energy: -0.053 local terms energy: -75.166450 where: bonds (distance) C4'-P energy: -14.763 bonds (distance) P-C4' energy: -13.990 flat angles C4'-P-C4' energy: -17.355 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -21.476 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: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -210.802170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.802170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.802170 (E_RNA) where: Base-Base interactions energy: -141.909 where: short stacking energy: -65.631 Base-Backbone interact. energy: -0.110 local terms energy: -68.783159 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -15.539 flat angles C4'-P-C4' energy: -15.780 flat angles P-C4'-P energy: -11.222 tors. eta vs tors. theta energy: -11.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -239.827303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -239.827303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -239.827303 (E_RNA) where: Base-Base interactions energy: -177.777 where: short stacking energy: -70.535 Base-Backbone interact. energy: -0.237 local terms energy: -61.813683 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -17.658 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: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -201.006006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.006006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.006006 (E_RNA) where: Base-Base interactions energy: -136.544 where: short stacking energy: -72.322 Base-Backbone interact. energy: -0.218 local terms energy: -64.244269 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -17.435 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -12.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -99.529300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.529300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.529300 (E_RNA) where: Base-Base interactions energy: -48.997 where: short stacking energy: -38.778 Base-Backbone interact. energy: -0.116 local terms energy: -50.415667 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -7.604 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: 1, replica: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -288.689817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.689817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.689817 (E_RNA) where: Base-Base interactions energy: -211.793 where: short stacking energy: -88.383 Base-Backbone interact. energy: -0.849 local terms energy: -76.047640 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -17.174 flat angles P-C4'-P energy: -13.097 tors. eta vs tors. theta energy: -19.561 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: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -276.829473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.829473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.829473 (E_RNA) where: Base-Base interactions energy: -201.571 where: short stacking energy: -87.860 Base-Backbone interact. energy: 0.520 local terms energy: -75.778407 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -17.588 flat angles P-C4'-P energy: -9.265 tors. eta vs tors. theta energy: -21.292 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: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -270.531505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.531505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.531505 (E_RNA) where: Base-Base interactions energy: -192.748 where: short stacking energy: -78.482 Base-Backbone interact. energy: 0.122 local terms energy: -77.905440 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -19.532 flat angles C4'-P-C4' energy: -15.615 flat angles P-C4'-P energy: -12.923 tors. eta vs tors. theta energy: -17.723 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: 4, replica: 10 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -278.880365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.880365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.880365 (E_RNA) where: Base-Base interactions energy: -204.465 where: short stacking energy: -79.248 Base-Backbone interact. energy: -0.068 local terms energy: -74.347366 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -18.471 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -11.222 tors. eta vs tors. theta energy: -13.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -266.178415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.178415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.178415 (E_RNA) where: Base-Base interactions energy: -193.583 where: short stacking energy: -77.153 Base-Backbone interact. energy: -0.653 local terms energy: -71.942379 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -16.402 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -18.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -258.953061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.953061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.953061 (E_RNA) where: Base-Base interactions energy: -184.678 where: short stacking energy: -74.653 Base-Backbone interact. energy: -1.991 local terms energy: -72.284036 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -10.099 flat angles C4'-P-C4' energy: -18.349 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -19.262 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: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -255.218360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.218360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.218360 (E_RNA) where: Base-Base interactions energy: -182.031 where: short stacking energy: -72.036 Base-Backbone interact. energy: -0.205 local terms energy: -72.982423 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -16.581 flat angles C4'-P-C4' energy: -18.760 flat angles P-C4'-P energy: -13.632 tors. eta vs tors. theta energy: -9.865 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: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -201.027364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.027364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.027364 (E_RNA) where: Base-Base interactions energy: -134.952 where: short stacking energy: -67.842 Base-Backbone interact. energy: 1.578 local terms energy: -67.653223 where: bonds (distance) C4'-P energy: -15.731 bonds (distance) P-C4' energy: -14.662 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -15.292 tors. eta vs tors. theta energy: -16.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -204.359685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.359685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.359685 (E_RNA) where: Base-Base interactions energy: -134.399 where: short stacking energy: -56.649 Base-Backbone interact. energy: -0.760 local terms energy: -69.200934 where: bonds (distance) C4'-P energy: -17.010 bonds (distance) P-C4' energy: -12.906 flat angles C4'-P-C4' energy: -17.233 flat angles P-C4'-P energy: -11.831 tors. eta vs tors. theta energy: -10.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -112.477641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.477641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.477641 (E_RNA) where: Base-Base interactions energy: -54.302 where: short stacking energy: -49.362 Base-Backbone interact. energy: 0.128 local terms energy: -58.303656 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -9.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -286.394572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.394572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.394572 (E_RNA) where: Base-Base interactions energy: -199.718 where: short stacking energy: -87.666 Base-Backbone interact. energy: -0.378 local terms energy: -86.298383 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -18.540 flat angles C4'-P-C4' energy: -19.451 flat angles P-C4'-P energy: -13.733 tors. eta vs tors. theta energy: -22.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -277.607457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.607457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.607457 (E_RNA) where: Base-Base interactions energy: -196.044 where: short stacking energy: -84.643 Base-Backbone interact. energy: -0.098 local terms energy: -81.464952 where: bonds (distance) C4'-P energy: -16.592 bonds (distance) P-C4' energy: -15.471 flat angles C4'-P-C4' energy: -17.774 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -17.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -272.663601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.663601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.663601 (E_RNA) where: Base-Base interactions energy: -191.317 where: short stacking energy: -84.099 Base-Backbone interact. energy: -0.383 local terms energy: -80.964201 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -17.590 flat angles P-C4'-P energy: -12.019 tors. eta vs tors. theta energy: -19.900 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: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -262.992154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.992154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.992154 (E_RNA) where: Base-Base interactions energy: -189.599 where: short stacking energy: -75.754 Base-Backbone interact. energy: -0.130 local terms energy: -73.263095 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -19.272 flat angles P-C4'-P energy: -11.862 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -269.550292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.550292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.550292 (E_RNA) where: Base-Base interactions energy: -190.496 where: short stacking energy: -79.663 Base-Backbone interact. energy: -0.054 local terms energy: -79.001257 where: bonds (distance) C4'-P energy: -17.346 bonds (distance) P-C4' energy: -16.360 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -19.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -250.988905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.988905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.988905 (E_RNA) where: Base-Base interactions energy: -186.579 where: short stacking energy: -76.391 Base-Backbone interact. energy: -0.222 local terms energy: -64.188036 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -15.368 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: 7, replica: 4 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -260.444733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.444733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.444733 (E_RNA) where: Base-Base interactions energy: -193.612 where: short stacking energy: -84.200 Base-Backbone interact. energy: 2.158 local terms energy: -68.991266 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -13.056 tors. eta vs tors. theta energy: -15.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -203.313639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.313639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.313639 (E_RNA) where: Base-Base interactions energy: -133.779 where: short stacking energy: -72.658 Base-Backbone interact. energy: -0.018 local terms energy: -69.516603 where: bonds (distance) C4'-P energy: -18.203 bonds (distance) P-C4' energy: -15.866 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -15.835 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: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -194.557956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.557956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.557956 (E_RNA) where: Base-Base interactions energy: -128.443 where: short stacking energy: -58.482 Base-Backbone interact. energy: -0.082 local terms energy: -66.032402 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -11.526 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -13.794 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: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -87.102797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.102797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.102797 (E_RNA) where: Base-Base interactions energy: -42.920 where: short stacking energy: -37.013 Base-Backbone interact. energy: -0.333 local terms energy: -43.849751 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -283.317020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.317020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.317020 (E_RNA) where: Base-Base interactions energy: -201.859 where: short stacking energy: -89.447 Base-Backbone interact. energy: -0.393 local terms energy: -81.064803 where: bonds (distance) C4'-P energy: -16.187 bonds (distance) P-C4' energy: -17.716 flat angles C4'-P-C4' energy: -17.413 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -19.376 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: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -281.657164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.657164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.657164 (E_RNA) where: Base-Base interactions energy: -200.488 where: short stacking energy: -85.249 Base-Backbone interact. energy: -0.055 local terms energy: -81.114467 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -17.541 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: -22.390 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: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -271.252816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.252816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.252816 (E_RNA) where: Base-Base interactions energy: -194.195 where: short stacking energy: -80.322 Base-Backbone interact. energy: -0.212 local terms energy: -76.844859 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -17.794 flat angles P-C4'-P energy: -12.208 tors. eta vs tors. theta energy: -17.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -264.153266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.153266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.153266 (E_RNA) where: Base-Base interactions energy: -195.158 where: short stacking energy: -77.851 Base-Backbone interact. energy: -0.275 local terms energy: -68.720712 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -18.100 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -15.941 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: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -276.889437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.889437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.889437 (E_RNA) where: Base-Base interactions energy: -196.246 where: short stacking energy: -82.282 Base-Backbone interact. energy: -0.220 local terms energy: -80.423791 where: bonds (distance) C4'-P energy: -18.087 bonds (distance) P-C4' energy: -12.854 flat angles C4'-P-C4' energy: -19.530 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -19.964 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: 6 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -266.705314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.705314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.705314 (E_RNA) where: Base-Base interactions energy: -193.070 where: short stacking energy: -80.953 Base-Backbone interact. energy: -0.147 local terms energy: -73.488984 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -16.864 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -17.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -262.844903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.844903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.844903 (E_RNA) where: Base-Base interactions energy: -195.259 where: short stacking energy: -83.682 Base-Backbone interact. energy: 3.040 local terms energy: -70.625889 where: bonds (distance) C4'-P energy: -16.766 bonds (distance) P-C4' energy: -13.739 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -7.630 tors. eta vs tors. theta energy: -18.659 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: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -204.763321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.763321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.763321 (E_RNA) where: Base-Base interactions energy: -131.914 where: short stacking energy: -63.611 Base-Backbone interact. energy: -0.114 local terms energy: -72.734719 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -11.977 flat angles C4'-P-C4' energy: -18.091 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -202.466862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.466862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.466862 (E_RNA) where: Base-Base interactions energy: -139.976 where: short stacking energy: -67.013 Base-Backbone interact. energy: 2.922 local terms energy: -65.413546 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -19.374 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -15.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -104.475217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.475217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.475217 (E_RNA) where: Base-Base interactions energy: -55.564 where: short stacking energy: -38.909 Base-Backbone interact. energy: -0.594 local terms energy: -48.317055 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -16.070 flat angles C4'-P-C4' energy: -9.414 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: 1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -284.039145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.039145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.039145 (E_RNA) where: Base-Base interactions energy: -202.108 where: short stacking energy: -84.566 Base-Backbone interact. energy: -0.456 local terms energy: -81.475220 where: bonds (distance) C4'-P energy: -16.543 bonds (distance) P-C4' energy: -15.826 flat angles C4'-P-C4' energy: -18.351 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -20.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -280.488303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.488303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.488303 (E_RNA) where: Base-Base interactions energy: -200.557 where: short stacking energy: -90.097 Base-Backbone interact. energy: -0.146 local terms energy: -79.785553 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -15.914 flat angles P-C4'-P energy: -11.898 tors. eta vs tors. theta energy: -21.536 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: 401 Temperature: 1.000000 Total energy: -284.662585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.662585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.662585 (E_RNA) where: Base-Base interactions energy: -200.704 where: short stacking energy: -82.641 Base-Backbone interact. energy: -0.454 local terms energy: -83.505402 where: bonds (distance) C4'-P energy: -18.361 bonds (distance) P-C4' energy: -17.429 flat angles C4'-P-C4' energy: -18.704 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -18.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -261.105885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.105885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.105885 (E_RNA) where: Base-Base interactions energy: -179.996 where: short stacking energy: -77.395 Base-Backbone interact. energy: -0.201 local terms energy: -80.908689 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -17.858 flat angles P-C4'-P energy: -12.946 tors. eta vs tors. theta energy: -21.574 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: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -272.646210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.646210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.646210 (E_RNA) where: Base-Base interactions energy: -197.678 where: short stacking energy: -87.471 Base-Backbone interact. energy: 2.115 local terms energy: -77.083413 where: bonds (distance) C4'-P energy: -18.264 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -17.337 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -19.845 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: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -257.115931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.115931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.115931 (E_RNA) where: Base-Base interactions energy: -180.882 where: short stacking energy: -72.234 Base-Backbone interact. energy: -0.048 local terms energy: -76.185780 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -16.306 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -14.371 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -260.588614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.588614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.588614 (E_RNA) where: Base-Base interactions energy: -185.297 where: short stacking energy: -70.146 Base-Backbone interact. energy: -0.100 local terms energy: -75.192221 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -19.187 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -17.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -216.718025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.718025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.718025 (E_RNA) where: Base-Base interactions energy: -157.601 where: short stacking energy: -72.341 Base-Backbone interact. energy: -0.021 local terms energy: -59.096054 where: bonds (distance) C4'-P energy: -7.281 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -14.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -185.639793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.639793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.639793 (E_RNA) where: Base-Base interactions energy: -121.327 where: short stacking energy: -59.938 Base-Backbone interact. energy: 0.006 local terms energy: -64.319680 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -9.898 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: 9 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -98.429351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.429351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.429351 (E_RNA) where: Base-Base interactions energy: -52.605 where: short stacking energy: -35.503 Base-Backbone interact. energy: 0.158 local terms energy: -45.982471 where: bonds (distance) C4'-P energy: -15.366 bonds (distance) P-C4' energy: -10.015 flat angles C4'-P-C4' energy: -11.865 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -1.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -287.036056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.036056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.036056 (E_RNA) where: Base-Base interactions energy: -201.283 where: short stacking energy: -89.192 Base-Backbone interact. energy: -0.061 local terms energy: -85.691931 where: bonds (distance) C4'-P energy: -17.626 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -18.309 flat angles P-C4'-P energy: -12.580 tors. eta vs tors. theta energy: -22.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -276.864889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.864889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.864889 (E_RNA) where: Base-Base interactions energy: -200.221 where: short stacking energy: -79.012 Base-Backbone interact. energy: -0.739 local terms energy: -75.905259 where: bonds (distance) C4'-P energy: -18.845 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -7.808 tors. eta vs tors. theta energy: -19.058 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: 402 Temperature: 1.000000 Total energy: -266.417206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.417206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.417206 (E_RNA) where: Base-Base interactions energy: -184.557 where: short stacking energy: -85.133 Base-Backbone interact. energy: -0.428 local terms energy: -81.431765 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -19.243 flat angles C4'-P-C4' energy: -17.478 flat angles P-C4'-P energy: -12.011 tors. eta vs tors. theta energy: -18.066 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: 4, replica: 2 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -263.478921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.478921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.478921 (E_RNA) where: Base-Base interactions energy: -190.971 where: short stacking energy: -82.819 Base-Backbone interact. energy: 0.007 local terms energy: -72.514431 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -12.024 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -13.452 tors. eta vs tors. theta energy: -15.971 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: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -267.549725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.549725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.549725 (E_RNA) where: Base-Base interactions energy: -189.909 where: short stacking energy: -80.283 Base-Backbone interact. energy: -0.104 local terms energy: -77.535739 where: bonds (distance) C4'-P energy: -15.939 bonds (distance) P-C4' energy: -17.118 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -11.771 tors. eta vs tors. theta energy: -18.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -252.124910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.124910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.124910 (E_RNA) where: Base-Base interactions energy: -176.017 where: short stacking energy: -73.051 Base-Backbone interact. energy: -0.582 local terms energy: -75.526266 where: bonds (distance) C4'-P energy: -12.689 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -16.139 flat angles P-C4'-P energy: -13.860 tors. eta vs tors. theta energy: -18.692 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: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -256.703700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.703700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.703700 (E_RNA) where: Base-Base interactions energy: -173.899 where: short stacking energy: -73.186 Base-Backbone interact. energy: -0.043 local terms energy: -82.761151 where: bonds (distance) C4'-P energy: -18.335 bonds (distance) P-C4' energy: -18.326 flat angles C4'-P-C4' energy: -17.016 flat angles P-C4'-P energy: -14.092 tors. eta vs tors. theta energy: -14.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -208.506447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.506447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.506447 (E_RNA) where: Base-Base interactions energy: -135.237 where: short stacking energy: -63.144 Base-Backbone interact. energy: -0.331 local terms energy: -72.938402 where: bonds (distance) C4'-P energy: -17.255 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -18.326 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -18.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -195.096572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.096572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.096572 (E_RNA) where: Base-Base interactions energy: -127.835 where: short stacking energy: -66.478 Base-Backbone interact. energy: 0.020 local terms energy: -67.280941 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -16.916 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -12.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -110.331719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.331719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.331719 (E_RNA) where: Base-Base interactions energy: -62.028 where: short stacking energy: -38.584 Base-Backbone interact. energy: -0.070 local terms energy: -48.234520 where: bonds (distance) C4'-P energy: -4.814 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -17.089 flat angles P-C4'-P energy: -8.514 tors. eta vs tors. theta energy: -4.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -288.019092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.019092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.019092 (E_RNA) where: Base-Base interactions energy: -200.881 where: short stacking energy: -91.029 Base-Backbone interact. energy: -0.152 local terms energy: -86.986597 where: bonds (distance) C4'-P energy: -15.972 bonds (distance) P-C4' energy: -18.308 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -13.014 tors. eta vs tors. theta energy: -21.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -284.882630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.882630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.882630 (E_RNA) where: Base-Base interactions energy: -202.974 where: short stacking energy: -84.388 Base-Backbone interact. energy: -0.128 local terms energy: -81.780826 where: bonds (distance) C4'-P energy: -17.620 bonds (distance) P-C4' energy: -16.773 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -12.932 tors. eta vs tors. theta energy: -19.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -271.375693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.375693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.375693 (E_RNA) where: Base-Base interactions energy: -192.836 where: short stacking energy: -83.386 Base-Backbone interact. energy: 0.656 local terms energy: -79.196135 where: bonds (distance) C4'-P energy: -18.653 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -18.883 flat angles P-C4'-P energy: -8.622 tors. eta vs tors. theta energy: -18.213 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: 403 Temperature: 1.050000 Total energy: -273.421598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.421598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.421598 (E_RNA) where: Base-Base interactions energy: -200.302 where: short stacking energy: -81.691 Base-Backbone interact. energy: -0.271 local terms energy: -72.848417 where: bonds (distance) C4'-P energy: -10.316 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -9.360 tors. eta vs tors. theta energy: -21.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -271.428617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.428617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.428617 (E_RNA) where: Base-Base interactions energy: -194.193 where: short stacking energy: -82.362 Base-Backbone interact. energy: -0.126 local terms energy: -77.109414 where: bonds (distance) C4'-P energy: -16.058 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -16.338 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -263.933622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.933622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.933622 (E_RNA) where: Base-Base interactions energy: -197.265 where: short stacking energy: -87.070 Base-Backbone interact. energy: 1.251 local terms energy: -67.919577 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -19.527 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: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -257.030023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.030023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.030023 (E_RNA) where: Base-Base interactions energy: -189.402 where: short stacking energy: -76.689 Base-Backbone interact. energy: -0.432 local terms energy: -67.196222 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -16.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -210.660731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.660731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.660731 (E_RNA) where: Base-Base interactions energy: -145.848 where: short stacking energy: -64.996 Base-Backbone interact. energy: 2.119 local terms energy: -66.931650 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -12.644 tors. eta vs tors. theta energy: -10.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -199.088951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.088951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.088951 (E_RNA) where: Base-Base interactions energy: -137.384 where: short stacking energy: -64.263 Base-Backbone interact. energy: -0.120 local terms energy: -61.584250 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -9.889 flat angles C4'-P-C4' energy: -15.709 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -14.960 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: 9 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -111.130931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.130931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.130931 (E_RNA) where: Base-Base interactions energy: -54.487 where: short stacking energy: -46.571 Base-Backbone interact. energy: -0.310 local terms energy: -56.333821 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -17.820 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -12.043 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: 404 Temperature: 0.900000 Total energy: -284.033709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.033709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.033709 (E_RNA) where: Base-Base interactions energy: -205.297 where: short stacking energy: -88.315 Base-Backbone interact. energy: -0.366 local terms energy: -78.370852 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -18.341 flat angles P-C4'-P energy: -13.454 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -280.681773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.681773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.681773 (E_RNA) where: Base-Base interactions energy: -200.352 where: short stacking energy: -85.858 Base-Backbone interact. energy: -0.961 local terms energy: -79.368184 where: bonds (distance) C4'-P energy: -16.908 bonds (distance) P-C4' energy: -18.650 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -17.652 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: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -288.330177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.330177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.330177 (E_RNA) where: Base-Base interactions energy: -205.571 where: short stacking energy: -85.483 Base-Backbone interact. energy: -0.308 local terms energy: -82.450622 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -16.511 flat angles C4'-P-C4' energy: -19.193 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -22.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -265.451587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.451587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.451587 (E_RNA) where: Base-Base interactions energy: -185.426 where: short stacking energy: -77.129 Base-Backbone interact. energy: -0.965 local terms energy: -79.060856 where: bonds (distance) C4'-P energy: -14.882 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -17.151 flat angles P-C4'-P energy: -12.501 tors. eta vs tors. theta energy: -19.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -265.635619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.635619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.635619 (E_RNA) where: Base-Base interactions energy: -194.850 where: short stacking energy: -83.709 Base-Backbone interact. energy: -0.102 local terms energy: -70.683794 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -17.526 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -261.850664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.850664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.850664 (E_RNA) where: Base-Base interactions energy: -191.118 where: short stacking energy: -88.375 Base-Backbone interact. energy: -0.105 local terms energy: -70.627552 where: bonds (distance) C4'-P energy: -8.276 bonds (distance) P-C4' energy: -10.593 flat angles C4'-P-C4' energy: -18.528 flat angles P-C4'-P energy: -12.477 tors. eta vs tors. theta energy: -20.753 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -252.622658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.622658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.622658 (E_RNA) where: Base-Base interactions energy: -182.340 where: short stacking energy: -80.818 Base-Backbone interact. energy: -0.164 local terms energy: -70.118278 where: bonds (distance) C4'-P energy: -17.420 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -16.601 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -207.359053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.359053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.359053 (E_RNA) where: Base-Base interactions energy: -142.177 where: short stacking energy: -66.747 Base-Backbone interact. energy: 0.372 local terms energy: -65.553445 where: bonds (distance) C4'-P energy: -15.003 bonds (distance) P-C4' energy: -14.784 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -8.451 tors. eta vs tors. theta energy: -14.897 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: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -211.729531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.729531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.729531 (E_RNA) where: Base-Base interactions energy: -146.474 where: short stacking energy: -69.950 Base-Backbone interact. energy: -0.109 local terms energy: -65.146638 where: bonds (distance) C4'-P energy: -11.405 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -16.724 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -15.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -116.928161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.928161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.928161 (E_RNA) where: Base-Base interactions energy: -62.954 where: short stacking energy: -33.069 Base-Backbone interact. energy: -0.762 local terms energy: -53.212116 where: bonds (distance) C4'-P energy: -12.167 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -5.516 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: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -281.480967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.480967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.480967 (E_RNA) where: Base-Base interactions energy: -201.982 where: short stacking energy: -86.896 Base-Backbone interact. energy: -0.886 local terms energy: -78.612759 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -17.811 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -19.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -283.578474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.578474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.578474 (E_RNA) where: Base-Base interactions energy: -201.945 where: short stacking energy: -85.583 Base-Backbone interact. energy: 0.801 local terms energy: -82.434453 where: bonds (distance) C4'-P energy: -17.475 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -18.542 flat angles P-C4'-P energy: -13.238 tors. eta vs tors. theta energy: -17.020 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: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -274.752730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.752730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.752730 (E_RNA) where: Base-Base interactions energy: -190.079 where: short stacking energy: -80.296 Base-Backbone interact. energy: -1.018 local terms energy: -83.655400 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -18.630 flat angles C4'-P-C4' energy: -18.069 flat angles P-C4'-P energy: -14.485 tors. eta vs tors. theta energy: -18.657 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: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -276.254709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.254709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.254709 (E_RNA) where: Base-Base interactions energy: -195.549 where: short stacking energy: -85.184 Base-Backbone interact. energy: -0.122 local terms energy: -80.583412 where: bonds (distance) C4'-P energy: -15.305 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -14.012 tors. eta vs tors. theta energy: -17.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -266.966645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.966645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.966645 (E_RNA) where: Base-Base interactions energy: -186.780 where: short stacking energy: -79.479 Base-Backbone interact. energy: -0.102 local terms energy: -80.084301 where: bonds (distance) C4'-P energy: -16.870 bonds (distance) P-C4' energy: -17.607 flat angles C4'-P-C4' energy: -18.373 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -17.918 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: 6, replica: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -268.922503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.922503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.922503 (E_RNA) where: Base-Base interactions energy: -189.899 where: short stacking energy: -72.403 Base-Backbone interact. energy: -1.327 local terms energy: -77.697105 where: bonds (distance) C4'-P energy: -16.121 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -16.966 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -19.355 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: 7 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -269.293364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.293364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.293364 (E_RNA) where: Base-Base interactions energy: -200.207 where: short stacking energy: -84.683 Base-Backbone interact. energy: 0.065 local terms energy: -69.151678 where: bonds (distance) C4'-P energy: -17.658 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: -17.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -199.792002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.792002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.792002 (E_RNA) where: Base-Base interactions energy: -136.430 where: short stacking energy: -57.768 Base-Backbone interact. energy: -0.257 local terms energy: -63.105514 where: bonds (distance) C4'-P energy: -17.226 bonds (distance) P-C4' energy: -17.160 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -212.456770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.456770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.456770 (E_RNA) where: Base-Base interactions energy: -142.352 where: short stacking energy: -76.329 Base-Backbone interact. energy: -0.095 local terms energy: -70.009711 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -15.357 flat angles P-C4'-P energy: -10.555 tors. eta vs tors. theta energy: -17.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -93.944612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.944612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.944612 (E_RNA) where: Base-Base interactions energy: -46.009 where: short stacking energy: -37.627 Base-Backbone interact. energy: -0.027 local terms energy: -47.908436 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -7.354 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: 1, replica: 1 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -285.323738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.323738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.323738 (E_RNA) where: Base-Base interactions energy: -201.375 where: short stacking energy: -82.013 Base-Backbone interact. energy: -0.637 local terms energy: -83.312123 where: bonds (distance) C4'-P energy: -17.400 bonds (distance) P-C4' energy: -17.711 flat angles C4'-P-C4' energy: -17.853 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -19.655 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: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -280.409710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.409710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.409710 (E_RNA) where: Base-Base interactions energy: -201.464 where: short stacking energy: -83.994 Base-Backbone interact. energy: -0.073 local terms energy: -78.873370 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -16.943 flat angles C4'-P-C4' energy: -18.656 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -19.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -271.743281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.743281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.743281 (E_RNA) where: Base-Base interactions energy: -188.953 where: short stacking energy: -82.971 Base-Backbone interact. energy: -0.116 local terms energy: -82.674536 where: bonds (distance) C4'-P energy: -17.498 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -19.437 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -19.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -276.674025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.674025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.674025 (E_RNA) where: Base-Base interactions energy: -199.189 where: short stacking energy: -81.193 Base-Backbone interact. energy: -0.101 local terms energy: -77.384865 where: bonds (distance) C4'-P energy: -17.210 bonds (distance) P-C4' energy: -19.218 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -22.656 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: 406 Temperature: 1.100000 Total energy: -266.455844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.455844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.455844 (E_RNA) where: Base-Base interactions energy: -185.274 where: short stacking energy: -75.459 Base-Backbone interact. energy: -1.077 local terms energy: -80.104844 where: bonds (distance) C4'-P energy: -16.319 bonds (distance) P-C4' energy: -19.393 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -12.834 tors. eta vs tors. theta energy: -18.469 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: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -263.860237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.860237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.860237 (E_RNA) where: Base-Base interactions energy: -192.578 where: short stacking energy: -77.779 Base-Backbone interact. energy: -0.101 local terms energy: -71.182154 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -15.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -267.118019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.118019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.118019 (E_RNA) where: Base-Base interactions energy: -186.234 where: short stacking energy: -79.662 Base-Backbone interact. energy: 0.216 local terms energy: -81.099121 where: bonds (distance) C4'-P energy: -15.636 bonds (distance) P-C4' energy: -18.121 flat angles C4'-P-C4' energy: -16.839 flat angles P-C4'-P energy: -10.961 tors. eta vs tors. theta energy: -19.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -201.323157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.323157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.323157 (E_RNA) where: Base-Base interactions energy: -137.457 where: short stacking energy: -63.619 Base-Backbone interact. energy: -0.326 local terms energy: -63.539777 where: bonds (distance) C4'-P energy: -9.306 bonds (distance) P-C4' energy: -17.428 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -12.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -194.644380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.644380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.644380 (E_RNA) where: Base-Base interactions energy: -133.553 where: short stacking energy: -60.657 Base-Backbone interact. energy: -0.037 local terms energy: -61.054242 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -16.039 flat angles C4'-P-C4' energy: -14.880 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -10.514 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: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -125.069748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.069748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.069748 (E_RNA) where: Base-Base interactions energy: -72.059 where: short stacking energy: -44.946 Base-Backbone interact. energy: 1.911 local terms energy: -54.921733 where: bonds (distance) C4'-P energy: -8.802 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -10.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -282.605935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.605935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.605935 (E_RNA) where: Base-Base interactions energy: -201.522 where: short stacking energy: -78.046 Base-Backbone interact. energy: -0.673 local terms energy: -80.411714 where: bonds (distance) C4'-P energy: -16.580 bonds (distance) P-C4' energy: -17.692 flat angles C4'-P-C4' energy: -16.524 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -18.846 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: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -274.141588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.141588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.141588 (E_RNA) where: Base-Base interactions energy: -194.506 where: short stacking energy: -89.355 Base-Backbone interact. energy: 0.705 local terms energy: -80.341309 where: bonds (distance) C4'-P energy: -17.234 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -18.125 flat angles P-C4'-P energy: -12.803 tors. eta vs tors. theta energy: -16.527 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: 2 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -277.347531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.347531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.347531 (E_RNA) where: Base-Base interactions energy: -196.436 where: short stacking energy: -85.671 Base-Backbone interact. energy: -1.313 local terms energy: -79.598716 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -17.226 flat angles C4'-P-C4' energy: -17.233 flat angles P-C4'-P energy: -11.288 tors. eta vs tors. theta energy: -20.051 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: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -276.936618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.936618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.936618 (E_RNA) where: Base-Base interactions energy: -195.209 where: short stacking energy: -89.437 Base-Backbone interact. energy: 1.269 local terms energy: -82.996676 where: bonds (distance) C4'-P energy: -16.882 bonds (distance) P-C4' energy: -16.774 flat angles C4'-P-C4' energy: -18.157 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -18.820 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: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -278.161597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.161597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.161597 (E_RNA) where: Base-Base interactions energy: -197.516 where: short stacking energy: -84.367 Base-Backbone interact. energy: -0.541 local terms energy: -80.104230 where: bonds (distance) C4'-P energy: -16.571 bonds (distance) P-C4' energy: -14.604 flat angles C4'-P-C4' energy: -19.129 flat angles P-C4'-P energy: -9.333 tors. eta vs tors. theta energy: -20.467 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: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -260.590394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.590394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.590394 (E_RNA) where: Base-Base interactions energy: -193.648 where: short stacking energy: -77.580 Base-Backbone interact. energy: -0.169 local terms energy: -66.772975 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -16.318 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: 407 Temperature: 1.200000 Total energy: -264.713614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.713614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.713614 (E_RNA) where: Base-Base interactions energy: -187.981 where: short stacking energy: -82.224 Base-Backbone interact. energy: -0.113 local terms energy: -76.619758 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -14.605 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -14.026 tors. eta vs tors. theta energy: -20.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -214.444785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.444785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.444785 (E_RNA) where: Base-Base interactions energy: -153.637 where: short stacking energy: -78.882 Base-Backbone interact. energy: -0.032 local terms energy: -60.775650 where: bonds (distance) C4'-P energy: -8.975 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -19.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -187.238898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.238898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.238898 (E_RNA) where: Base-Base interactions energy: -129.185 where: short stacking energy: -50.357 Base-Backbone interact. energy: -0.095 local terms energy: -57.958717 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -8.075 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -12.916 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: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -130.303658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.303658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.303658 (E_RNA) where: Base-Base interactions energy: -77.678 where: short stacking energy: -34.052 Base-Backbone interact. energy: -0.640 local terms energy: -51.985815 where: bonds (distance) C4'-P energy: -10.456 bonds (distance) P-C4' energy: -17.706 flat angles C4'-P-C4' energy: -12.106 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -283.307252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.307252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.307252 (E_RNA) where: Base-Base interactions energy: -202.067 where: short stacking energy: -85.707 Base-Backbone interact. energy: -0.846 local terms energy: -80.394284 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -18.572 flat angles C4'-P-C4' energy: -15.911 flat angles P-C4'-P energy: -12.207 tors. eta vs tors. theta energy: -18.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -280.726337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.726337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.726337 (E_RNA) where: Base-Base interactions energy: -197.625 where: short stacking energy: -90.019 Base-Backbone interact. energy: -0.243 local terms energy: -82.858072 where: bonds (distance) C4'-P energy: -17.634 bonds (distance) P-C4' energy: -13.210 flat angles C4'-P-C4' energy: -19.440 flat angles P-C4'-P energy: -11.490 tors. eta vs tors. theta energy: -21.084 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: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -272.186767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.186767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.186767 (E_RNA) where: Base-Base interactions energy: -193.412 where: short stacking energy: -82.322 Base-Backbone interact. energy: -0.130 local terms energy: -78.645316 where: bonds (distance) C4'-P energy: -19.064 bonds (distance) P-C4' energy: -16.543 flat angles C4'-P-C4' energy: -17.603 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: -16.220 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: 2 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -275.475803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.475803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.475803 (E_RNA) where: Base-Base interactions energy: -204.797 where: short stacking energy: -84.856 Base-Backbone interact. energy: -0.079 local terms energy: -70.599957 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -12.319 flat angles C4'-P-C4' energy: -16.872 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -276.192687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.192687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.192687 (E_RNA) where: Base-Base interactions energy: -192.844 where: short stacking energy: -76.158 Base-Backbone interact. energy: -0.202 local terms energy: -83.145988 where: bonds (distance) C4'-P energy: -17.552 bonds (distance) P-C4' energy: -17.496 flat angles C4'-P-C4' energy: -17.065 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -21.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -264.720896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.720896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.720896 (E_RNA) where: Base-Base interactions energy: -189.015 where: short stacking energy: -75.832 Base-Backbone interact. energy: -0.376 local terms energy: -75.329742 where: bonds (distance) C4'-P energy: -18.075 bonds (distance) P-C4' energy: -8.399 flat angles C4'-P-C4' energy: -18.273 flat angles P-C4'-P energy: -13.771 tors. eta vs tors. theta energy: -16.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -252.349187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.349187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.349187 (E_RNA) where: Base-Base interactions energy: -182.509 where: short stacking energy: -77.377 Base-Backbone interact. energy: 0.391 local terms energy: -70.231738 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -16.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -208.858662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.858662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.858662 (E_RNA) where: Base-Base interactions energy: -145.328 where: short stacking energy: -69.910 Base-Backbone interact. energy: -0.301 local terms energy: -63.230296 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -19.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -189.338373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.338373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.338373 (E_RNA) where: Base-Base interactions energy: -133.886 where: short stacking energy: -57.296 Base-Backbone interact. energy: -0.314 local terms energy: -55.138561 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -13.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -175.491891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.491891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.491891 (E_RNA) where: Base-Base interactions energy: -112.945 where: short stacking energy: -50.378 Base-Backbone interact. energy: -0.730 local terms energy: -61.816783 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -18.845 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -10.361 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: 409 Temperature: 0.900000 Total energy: -283.449443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.449443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.449443 (E_RNA) where: Base-Base interactions energy: -204.253 where: short stacking energy: -85.036 Base-Backbone interact. energy: -0.780 local terms energy: -78.415773 where: bonds (distance) C4'-P energy: -17.288 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -15.638 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -19.615 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: 4 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -290.474727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.474727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.474727 (E_RNA) where: Base-Base interactions energy: -202.806 where: short stacking energy: -84.747 Base-Backbone interact. energy: -1.209 local terms energy: -86.460255 where: bonds (distance) C4'-P energy: -16.063 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -16.795 flat angles P-C4'-P energy: -13.038 tors. eta vs tors. theta energy: -21.502 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: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -267.848358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.848358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.848358 (E_RNA) where: Base-Base interactions energy: -187.730 where: short stacking energy: -79.560 Base-Backbone interact. energy: -0.283 local terms energy: -79.835844 where: bonds (distance) C4'-P energy: -16.932 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -17.864 flat angles P-C4'-P energy: -12.779 tors. eta vs tors. theta energy: -17.700 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: 4, replica: 2 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -271.870585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.870585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.870585 (E_RNA) where: Base-Base interactions energy: -191.637 where: short stacking energy: -79.186 Base-Backbone interact. energy: -0.537 local terms energy: -79.696336 where: bonds (distance) C4'-P energy: -15.712 bonds (distance) P-C4' energy: -18.961 flat angles C4'-P-C4' energy: -19.356 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -15.673 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: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -264.436577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.436577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.436577 (E_RNA) where: Base-Base interactions energy: -185.827 where: short stacking energy: -73.810 Base-Backbone interact. energy: -0.420 local terms energy: -78.189638 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -17.294 flat angles C4'-P-C4' energy: -15.725 flat angles P-C4'-P energy: -13.188 tors. eta vs tors. theta energy: -18.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -270.327271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.327271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.327271 (E_RNA) where: Base-Base interactions energy: -199.103 where: short stacking energy: -80.610 Base-Backbone interact. energy: -1.200 local terms energy: -70.024358 where: bonds (distance) C4'-P energy: -15.076 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -17.155 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: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -260.355291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.355291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.355291 (E_RNA) where: Base-Base interactions energy: -185.903 where: short stacking energy: -82.501 Base-Backbone interact. energy: -0.007 local terms energy: -74.445369 where: bonds (distance) C4'-P energy: -15.586 bonds (distance) P-C4' energy: -17.178 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -15.044 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: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -205.176527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.176527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.176527 (E_RNA) where: Base-Base interactions energy: -129.745 where: short stacking energy: -57.887 Base-Backbone interact. energy: -0.169 local terms energy: -75.262650 where: bonds (distance) C4'-P energy: -18.489 bonds (distance) P-C4' energy: -16.983 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -12.414 tors. eta vs tors. theta energy: -12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -199.984697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.984697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.984697 (E_RNA) where: Base-Base interactions energy: -141.410 where: short stacking energy: -58.090 Base-Backbone interact. energy: 3.338 local terms energy: -61.912352 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -10.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -159.235790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.235790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.235790 (E_RNA) where: Base-Base interactions energy: -122.236 where: short stacking energy: -60.174 Base-Backbone interact. energy: 0.151 local terms energy: -37.151277 where: bonds (distance) C4'-P energy: -4.692 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -7.805 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: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -287.633475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.633475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.633475 (E_RNA) where: Base-Base interactions energy: -203.900 where: short stacking energy: -86.887 Base-Backbone interact. energy: -0.751 local terms energy: -82.982564 where: bonds (distance) C4'-P energy: -18.158 bonds (distance) P-C4' energy: -18.136 flat angles C4'-P-C4' energy: -17.223 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -20.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -278.892943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.892943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.892943 (E_RNA) where: Base-Base interactions energy: -200.316 where: short stacking energy: -71.790 Base-Backbone interact. energy: -0.115 local terms energy: -78.461902 where: bonds (distance) C4'-P energy: -14.853 bonds (distance) P-C4' energy: -19.503 flat angles C4'-P-C4' energy: -17.275 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -18.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -276.263127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.263127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.263127 (E_RNA) where: Base-Base interactions energy: -201.434 where: short stacking energy: -83.435 Base-Backbone interact. energy: 0.234 local terms energy: -75.062571 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -14.233 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -12.623 tors. eta vs tors. theta energy: -17.872 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: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -270.112017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.112017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.112017 (E_RNA) where: Base-Base interactions energy: -195.823 where: short stacking energy: -81.901 Base-Backbone interact. energy: -0.063 local terms energy: -74.225702 where: bonds (distance) C4'-P energy: -16.436 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -16.094 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -20.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -267.931455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.931455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.931455 (E_RNA) where: Base-Base interactions energy: -194.621 where: short stacking energy: -81.549 Base-Backbone interact. energy: 0.016 local terms energy: -73.326330 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -16.244 flat angles C4'-P-C4' energy: -16.411 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -21.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -265.723238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.723238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.723238 (E_RNA) where: Base-Base interactions energy: -190.667 where: short stacking energy: -79.535 Base-Backbone interact. energy: -0.753 local terms energy: -74.303802 where: bonds (distance) C4'-P energy: -11.156 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -17.582 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -22.061 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: 410 Temperature: 1.200000 Total energy: -260.670808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.670808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.670808 (E_RNA) where: Base-Base interactions energy: -198.758 where: short stacking energy: -80.680 Base-Backbone interact. energy: 1.833 local terms energy: -63.746114 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -10.749 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -19.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -196.304644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.304644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.304644 (E_RNA) where: Base-Base interactions energy: -125.526 where: short stacking energy: -62.643 Base-Backbone interact. energy: -0.205 local terms energy: -70.573971 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -17.033 flat angles C4'-P-C4' energy: -15.752 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -13.660 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: 410 Temperature: 1.300000 Total energy: -209.242217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.242217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.242217 (E_RNA) where: Base-Base interactions energy: -133.739 where: short stacking energy: -59.918 Base-Backbone interact. energy: -0.255 local terms energy: -75.248035 where: bonds (distance) C4'-P energy: -14.567 bonds (distance) P-C4' energy: -17.871 flat angles C4'-P-C4' energy: -16.992 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -15.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -193.527467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.527467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.527467 (E_RNA) where: Base-Base interactions energy: -132.363 where: short stacking energy: -60.565 Base-Backbone interact. energy: -0.836 local terms energy: -60.327791 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -16.099 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -9.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -279.879691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.879691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.879691 (E_RNA) where: Base-Base interactions energy: -198.433 where: short stacking energy: -76.739 Base-Backbone interact. energy: -1.028 local terms energy: -80.419377 where: bonds (distance) C4'-P energy: -17.025 bonds (distance) P-C4' energy: -19.044 flat angles C4'-P-C4' energy: -18.233 flat angles P-C4'-P energy: -11.349 tors. eta vs tors. theta energy: -14.768 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: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -285.135935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.135935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.135935 (E_RNA) where: Base-Base interactions energy: -203.197 where: short stacking energy: -88.061 Base-Backbone interact. energy: -0.233 local terms energy: -81.705913 where: bonds (distance) C4'-P energy: -17.408 bonds (distance) P-C4' energy: -17.297 flat angles C4'-P-C4' energy: -16.039 flat angles P-C4'-P energy: -14.585 tors. eta vs tors. theta energy: -16.377 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: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -276.407762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.407762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.407762 (E_RNA) where: Base-Base interactions energy: -200.454 where: short stacking energy: -84.528 Base-Backbone interact. energy: -0.100 local terms energy: -75.854170 where: bonds (distance) C4'-P energy: -17.437 bonds (distance) P-C4' energy: -16.360 flat angles C4'-P-C4' energy: -16.030 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -17.904 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: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -271.381197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.381197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.381197 (E_RNA) where: Base-Base interactions energy: -191.358 where: short stacking energy: -84.217 Base-Backbone interact. energy: 1.514 local terms energy: -81.536901 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -15.433 flat angles C4'-P-C4' energy: -19.169 flat angles P-C4'-P energy: -13.248 tors. eta vs tors. theta energy: -19.342 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: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -277.399882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.399882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.399882 (E_RNA) where: Base-Base interactions energy: -195.754 where: short stacking energy: -76.078 Base-Backbone interact. energy: -0.602 local terms energy: -81.043095 where: bonds (distance) C4'-P energy: -14.598 bonds (distance) P-C4' energy: -19.187 flat angles C4'-P-C4' energy: -16.303 flat angles P-C4'-P energy: -13.566 tors. eta vs tors. theta energy: -17.389 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: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -266.847252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.847252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.847252 (E_RNA) where: Base-Base interactions energy: -186.766 where: short stacking energy: -76.477 Base-Backbone interact. energy: -1.048 local terms energy: -79.033508 where: bonds (distance) C4'-P energy: -16.323 bonds (distance) P-C4' energy: -15.949 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -14.067 tors. eta vs tors. theta energy: -18.246 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: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -256.980615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.980615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.980615 (E_RNA) where: Base-Base interactions energy: -183.748 where: short stacking energy: -78.076 Base-Backbone interact. energy: -0.104 local terms energy: -73.128341 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -14.204 flat angles C4'-P-C4' energy: -17.263 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -18.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -211.462520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.462520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.462520 (E_RNA) where: Base-Base interactions energy: -148.281 where: short stacking energy: -67.998 Base-Backbone interact. energy: -0.082 local terms energy: -63.099705 where: bonds (distance) C4'-P energy: -9.685 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -15.668 flat angles P-C4'-P energy: -12.398 tors. eta vs tors. theta energy: -14.122 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: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -213.364777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.364777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.364777 (E_RNA) where: Base-Base interactions energy: -148.063 where: short stacking energy: -69.823 Base-Backbone interact. energy: 0.917 local terms energy: -66.218912 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -16.928 flat angles C4'-P-C4' energy: -10.918 flat angles P-C4'-P energy: -12.551 tors. eta vs tors. theta energy: -14.945 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: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -198.509295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.509295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.509295 (E_RNA) where: Base-Base interactions energy: -134.482 where: short stacking energy: -53.348 Base-Backbone interact. energy: -0.271 local terms energy: -63.756717 where: bonds (distance) C4'-P energy: -13.972 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -11.022 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: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -280.079576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.079576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.079576 (E_RNA) where: Base-Base interactions energy: -202.307 where: short stacking energy: -85.744 Base-Backbone interact. energy: -0.099 local terms energy: -77.673868 where: bonds (distance) C4'-P energy: -16.469 bonds (distance) P-C4' energy: -18.658 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -16.544 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: 2, replica: 1 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -276.564204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.564204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.564204 (E_RNA) where: Base-Base interactions energy: -193.479 where: short stacking energy: -81.286 Base-Backbone interact. energy: -0.769 local terms energy: -82.316613 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -17.793 flat angles C4'-P-C4' energy: -16.564 flat angles P-C4'-P energy: -15.068 tors. eta vs tors. theta energy: -18.484 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: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -280.526149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.526149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.526149 (E_RNA) where: Base-Base interactions energy: -204.911 where: short stacking energy: -84.682 Base-Backbone interact. energy: 0.218 local terms energy: -75.833212 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -18.161 flat angles C4'-P-C4' energy: -18.476 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -271.752214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.752214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.752214 (E_RNA) where: Base-Base interactions energy: -186.712 where: short stacking energy: -78.325 Base-Backbone interact. energy: -0.253 local terms energy: -84.787169 where: bonds (distance) C4'-P energy: -17.946 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -17.745 flat angles P-C4'-P energy: -13.214 tors. eta vs tors. theta energy: -19.070 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: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -264.754483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.754483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.754483 (E_RNA) where: Base-Base interactions energy: -199.344 where: short stacking energy: -80.018 Base-Backbone interact. energy: -0.656 local terms energy: -64.754080 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -16.699 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -12.909 tors. eta vs tors. theta energy: -18.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -260.371135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.371135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.371135 (E_RNA) where: Base-Base interactions energy: -184.494 where: short stacking energy: -78.106 Base-Backbone interact. energy: -0.101 local terms energy: -75.776388 where: bonds (distance) C4'-P energy: -11.859 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.886 flat angles P-C4'-P energy: -12.677 tors. eta vs tors. theta energy: -22.016 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: 7 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -262.493872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.493872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.493872 (E_RNA) where: Base-Base interactions energy: -189.362 where: short stacking energy: -83.098 Base-Backbone interact. energy: -0.748 local terms energy: -72.383058 where: bonds (distance) C4'-P energy: -14.571 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -19.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -212.798940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.798940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.798940 (E_RNA) where: Base-Base interactions energy: -151.707 where: short stacking energy: -67.447 Base-Backbone interact. energy: -0.021 local terms energy: -61.071813 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -12.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -204.195216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.195216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.195216 (E_RNA) where: Base-Base interactions energy: -132.352 where: short stacking energy: -58.423 Base-Backbone interact. energy: -0.054 local terms energy: -71.788726 where: bonds (distance) C4'-P energy: -16.390 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -12.801 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -18.148 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: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -215.337833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.337833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.337833 (E_RNA) where: Base-Base interactions energy: -147.720 where: short stacking energy: -61.175 Base-Backbone interact. energy: -1.183 local terms energy: -66.435205 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -16.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -282.543214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.543214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.543214 (E_RNA) where: Base-Base interactions energy: -200.556 where: short stacking energy: -83.770 Base-Backbone interact. energy: -0.155 local terms energy: -81.831712 where: bonds (distance) C4'-P energy: -16.550 bonds (distance) P-C4' energy: -15.640 flat angles C4'-P-C4' energy: -17.553 flat angles P-C4'-P energy: -13.955 tors. eta vs tors. theta energy: -18.133 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: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -281.966433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.966433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.966433 (E_RNA) where: Base-Base interactions energy: -198.070 where: short stacking energy: -82.261 Base-Backbone interact. energy: -1.013 local terms energy: -82.883048 where: bonds (distance) C4'-P energy: -16.870 bonds (distance) P-C4' energy: -18.213 flat angles C4'-P-C4' energy: -16.921 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -19.986 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: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -270.044792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.044792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.044792 (E_RNA) where: Base-Base interactions energy: -191.539 where: short stacking energy: -77.757 Base-Backbone interact. energy: -0.207 local terms energy: -78.299501 where: bonds (distance) C4'-P energy: -16.671 bonds (distance) P-C4' energy: -17.768 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -12.885 tors. eta vs tors. theta energy: -14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -271.689487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.689487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.689487 (E_RNA) where: Base-Base interactions energy: -193.584 where: short stacking energy: -78.569 Base-Backbone interact. energy: -0.644 local terms energy: -77.461226 where: bonds (distance) C4'-P energy: -16.374 bonds (distance) P-C4' energy: -14.630 flat angles C4'-P-C4' energy: -16.774 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -19.433 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: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -270.995166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.995166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.995166 (E_RNA) where: Base-Base interactions energy: -197.862 where: short stacking energy: -78.481 Base-Backbone interact. energy: -0.485 local terms energy: -72.647686 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -16.988 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -17.342 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: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -264.826577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.826577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.826577 (E_RNA) where: Base-Base interactions energy: -191.789 where: short stacking energy: -83.655 Base-Backbone interact. energy: 3.529 local terms energy: -76.566146 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -16.268 flat angles P-C4'-P energy: -13.035 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -261.109216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.109216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.109216 (E_RNA) where: Base-Base interactions energy: -188.150 where: short stacking energy: -74.660 Base-Backbone interact. energy: -0.140 local terms energy: -72.819379 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -19.530 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: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -226.379344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.379344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.379344 (E_RNA) where: Base-Base interactions energy: -156.858 where: short stacking energy: -66.702 Base-Backbone interact. energy: -0.196 local terms energy: -69.325610 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -171.850016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.850016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.850016 (E_RNA) where: Base-Base interactions energy: -123.618 where: short stacking energy: -48.145 Base-Backbone interact. energy: 0.492 local terms energy: -48.724048 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -13.213 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -185.823967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.823967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.823967 (E_RNA) where: Base-Base interactions energy: -128.809 where: short stacking energy: -60.009 Base-Backbone interact. energy: -0.314 local terms energy: -56.700411 where: bonds (distance) C4'-P energy: -6.862 bonds (distance) P-C4' energy: -18.421 flat angles C4'-P-C4' energy: -16.723 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -11.592 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: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -283.991430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.991430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.991430 (E_RNA) where: Base-Base interactions energy: -206.047 where: short stacking energy: -86.002 Base-Backbone interact. energy: -0.085 local terms energy: -77.858849 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -18.830 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -20.505 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: 414 Temperature: 0.950000 Total energy: -278.724268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.724268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.724268 (E_RNA) where: Base-Base interactions energy: -204.867 where: short stacking energy: -88.739 Base-Backbone interact. energy: -0.553 local terms energy: -73.304832 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -19.534 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: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -276.618347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.618347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.618347 (E_RNA) where: Base-Base interactions energy: -194.840 where: short stacking energy: -80.018 Base-Backbone interact. energy: -0.299 local terms energy: -81.478643 where: bonds (distance) C4'-P energy: -16.556 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -19.072 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -21.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -271.699385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.699385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.699385 (E_RNA) where: Base-Base interactions energy: -190.364 where: short stacking energy: -79.554 Base-Backbone interact. energy: -2.085 local terms energy: -79.250227 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -19.728 flat angles P-C4'-P energy: -11.479 tors. eta vs tors. theta energy: -18.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -265.580458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.580458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.580458 (E_RNA) where: Base-Base interactions energy: -188.950 where: short stacking energy: -79.938 Base-Backbone interact. energy: -0.169 local terms energy: -76.461243 where: bonds (distance) C4'-P energy: -15.982 bonds (distance) P-C4' energy: -18.845 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -15.051 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: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -268.552923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.552923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.552923 (E_RNA) where: Base-Base interactions energy: -191.936 where: short stacking energy: -84.871 Base-Backbone interact. energy: -0.424 local terms energy: -76.192549 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -18.116 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -21.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -265.607116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.607116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.607116 (E_RNA) where: Base-Base interactions energy: -192.112 where: short stacking energy: -78.390 Base-Backbone interact. energy: 1.163 local terms energy: -74.657830 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -16.660 flat angles C4'-P-C4' energy: -16.895 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -16.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -208.433263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.433263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.433263 (E_RNA) where: Base-Base interactions energy: -146.235 where: short stacking energy: -65.762 Base-Backbone interact. energy: -0.549 local terms energy: -61.649215 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -13.344 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -12.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -190.008195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.008195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.008195 (E_RNA) where: Base-Base interactions energy: -127.742 where: short stacking energy: -48.360 Base-Backbone interact. energy: 0.424 local terms energy: -62.690225 where: bonds (distance) C4'-P energy: -16.253 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -11.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -190.154814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.154814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.154814 (E_RNA) where: Base-Base interactions energy: -116.473 where: short stacking energy: -58.908 Base-Backbone interact. energy: -0.002 local terms energy: -73.679730 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -17.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -291.189558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.189558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.189558 (E_RNA) where: Base-Base interactions energy: -205.107 where: short stacking energy: -76.618 Base-Backbone interact. energy: -0.244 local terms energy: -85.837947 where: bonds (distance) C4'-P energy: -19.358 bonds (distance) P-C4' energy: -18.041 flat angles C4'-P-C4' energy: -18.637 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -17.267 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: 2, replica: 4 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -278.807437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.807437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.807437 (E_RNA) where: Base-Base interactions energy: -190.364 where: short stacking energy: -77.175 Base-Backbone interact. energy: -0.226 local terms energy: -88.217685 where: bonds (distance) C4'-P energy: -16.278 bonds (distance) P-C4' energy: -16.839 flat angles C4'-P-C4' energy: -19.674 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -23.870 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: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -272.176212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.176212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.176212 (E_RNA) where: Base-Base interactions energy: -187.833 where: short stacking energy: -78.215 Base-Backbone interact. energy: -0.200 local terms energy: -84.143759 where: bonds (distance) C4'-P energy: -17.555 bonds (distance) P-C4' energy: -20.187 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -12.910 tors. eta vs tors. theta energy: -17.641 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: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -269.361643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.361643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.361643 (E_RNA) where: Base-Base interactions energy: -198.995 where: short stacking energy: -84.905 Base-Backbone interact. energy: -0.309 local terms energy: -70.057570 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -269.905598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.905598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.905598 (E_RNA) where: Base-Base interactions energy: -190.825 where: short stacking energy: -75.204 Base-Backbone interact. energy: 0.400 local terms energy: -79.481051 where: bonds (distance) C4'-P energy: -17.500 bonds (distance) P-C4' energy: -19.299 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -10.566 tors. eta vs tors. theta energy: -19.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -266.234250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.234250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.234250 (E_RNA) where: Base-Base interactions energy: -190.947 where: short stacking energy: -77.548 Base-Backbone interact. energy: -0.683 local terms energy: -74.604334 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -17.431 flat angles C4'-P-C4' energy: -16.118 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -14.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -261.607664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.607664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.607664 (E_RNA) where: Base-Base interactions energy: -186.857 where: short stacking energy: -82.432 Base-Backbone interact. energy: -0.101 local terms energy: -74.649705 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -14.758 flat angles P-C4'-P energy: -13.560 tors. eta vs tors. theta energy: -16.350 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: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -223.874912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.874912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.874912 (E_RNA) where: Base-Base interactions energy: -146.368 where: short stacking energy: -78.558 Base-Backbone interact. energy: -0.011 local terms energy: -77.495950 where: bonds (distance) C4'-P energy: -15.362 bonds (distance) P-C4' energy: -15.726 flat angles C4'-P-C4' energy: -18.307 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -19.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -210.272360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.272360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.272360 (E_RNA) where: Base-Base interactions energy: -141.191 where: short stacking energy: -60.871 Base-Backbone interact. energy: -0.109 local terms energy: -68.972173 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -18.834 flat angles P-C4'-P energy: -7.402 tors. eta vs tors. theta energy: -13.858 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: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -196.244466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.244466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.244466 (E_RNA) where: Base-Base interactions energy: -134.685 where: short stacking energy: -67.666 Base-Backbone interact. energy: 0.167 local terms energy: -61.725585 where: bonds (distance) C4'-P energy: -10.904 bonds (distance) P-C4' energy: -7.239 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -13.672 tors. eta vs tors. theta energy: -13.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -283.927310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.927310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.927310 (E_RNA) where: Base-Base interactions energy: -200.999 where: short stacking energy: -86.724 Base-Backbone interact. energy: 0.517 local terms energy: -83.445328 where: bonds (distance) C4'-P energy: -16.481 bonds (distance) P-C4' energy: -16.102 flat angles C4'-P-C4' energy: -16.064 flat angles P-C4'-P energy: -13.255 tors. eta vs tors. theta energy: -21.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -281.219484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.219484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.219484 (E_RNA) where: Base-Base interactions energy: -203.186 where: short stacking energy: -85.200 Base-Backbone interact. energy: -0.203 local terms energy: -77.829844 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -17.842 flat angles P-C4'-P energy: -13.776 tors. eta vs tors. theta energy: -18.626 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: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -269.678096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.678096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.678096 (E_RNA) where: Base-Base interactions energy: -197.431 where: short stacking energy: -80.873 Base-Backbone interact. energy: -0.106 local terms energy: -72.141027 where: bonds (distance) C4'-P energy: -14.296 bonds (distance) P-C4' energy: -17.463 flat angles C4'-P-C4' energy: -18.102 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -15.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -270.298772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.298772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.298772 (E_RNA) where: Base-Base interactions energy: -200.347 where: short stacking energy: -83.906 Base-Backbone interact. energy: -0.411 local terms energy: -69.540887 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -14.655 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -22.086 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: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -260.001049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.001049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.001049 (E_RNA) where: Base-Base interactions energy: -194.730 where: short stacking energy: -80.817 Base-Backbone interact. energy: -0.101 local terms energy: -65.170190 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -8.954 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -17.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -268.442058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.442058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.442058 (E_RNA) where: Base-Base interactions energy: -199.709 where: short stacking energy: -82.396 Base-Backbone interact. energy: -1.468 local terms energy: -67.265591 where: bonds (distance) C4'-P energy: -8.213 bonds (distance) P-C4' energy: -18.498 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -248.689039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -248.689039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -248.689039 (E_RNA) where: Base-Base interactions energy: -178.903 where: short stacking energy: -69.676 Base-Backbone interact. energy: -1.243 local terms energy: -68.542812 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -17.197 flat angles C4'-P-C4' energy: -18.048 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -12.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -212.582438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.582438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.582438 (E_RNA) where: Base-Base interactions energy: -138.508 where: short stacking energy: -65.010 Base-Backbone interact. energy: 0.281 local terms energy: -74.355400 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -201.272711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.272711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.272711 (E_RNA) where: Base-Base interactions energy: -127.995 where: short stacking energy: -55.215 Base-Backbone interact. energy: -0.018 local terms energy: -73.259314 where: bonds (distance) C4'-P energy: -18.224 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -13.193 tors. eta vs tors. theta energy: -13.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -183.143266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.143266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.143266 (E_RNA) where: Base-Base interactions energy: -118.109 where: short stacking energy: -56.254 Base-Backbone interact. energy: -0.762 local terms energy: -64.272573 where: bonds (distance) C4'-P energy: -13.780 bonds (distance) P-C4' energy: -16.250 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -12.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -290.520739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.520739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.520739 (E_RNA) where: Base-Base interactions energy: -205.421 where: short stacking energy: -89.805 Base-Backbone interact. energy: -0.786 local terms energy: -84.313298 where: bonds (distance) C4'-P energy: -16.370 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -17.893 flat angles P-C4'-P energy: -13.313 tors. eta vs tors. theta energy: -20.341 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -281.810250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.810250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.810250 (E_RNA) where: Base-Base interactions energy: -202.612 where: short stacking energy: -89.257 Base-Backbone interact. energy: -1.817 local terms energy: -77.380733 where: bonds (distance) C4'-P energy: -9.719 bonds (distance) P-C4' energy: -18.249 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -23.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -271.501236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.501236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.501236 (E_RNA) where: Base-Base interactions energy: -196.370 where: short stacking energy: -83.575 Base-Backbone interact. energy: -0.622 local terms energy: -74.508929 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -20.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -266.424729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.424729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.424729 (E_RNA) where: Base-Base interactions energy: -183.558 where: short stacking energy: -81.718 Base-Backbone interact. energy: -0.102 local terms energy: -82.764275 where: bonds (distance) C4'-P energy: -17.243 bonds (distance) P-C4' energy: -18.870 flat angles C4'-P-C4' energy: -17.854 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -18.965 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: 417 Temperature: 1.100000 Total energy: -272.667111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.667111 (E_RNA) where: Base-Base interactions energy: -201.334 where: short stacking energy: -79.133 Base-Backbone interact. energy: 0.724 local terms energy: -72.056934 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -18.025 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -19.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -256.664760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.664760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.664760 (E_RNA) where: Base-Base interactions energy: -188.187 where: short stacking energy: -77.609 Base-Backbone interact. energy: 1.445 local terms energy: -69.922605 where: bonds (distance) C4'-P energy: -9.514 bonds (distance) P-C4' energy: -16.508 flat angles C4'-P-C4' energy: -19.248 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -16.683 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: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -246.622756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.622756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.622756 (E_RNA) where: Base-Base interactions energy: -169.883 where: short stacking energy: -68.245 Base-Backbone interact. energy: -3.318 local terms energy: -73.421738 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -15.188 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -18.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -215.109460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.109460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.109460 (E_RNA) where: Base-Base interactions energy: -144.954 where: short stacking energy: -73.831 Base-Backbone interact. energy: -0.131 local terms energy: -70.023876 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -17.803 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -206.340435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.340435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.340435 (E_RNA) where: Base-Base interactions energy: -134.937 where: short stacking energy: -64.700 Base-Backbone interact. energy: -0.064 local terms energy: -71.339591 where: bonds (distance) C4'-P energy: -13.458 bonds (distance) P-C4' energy: -17.221 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -20.331 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: 417 Temperature: 1.350000 Total energy: -189.989928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.989928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.989928 (E_RNA) where: Base-Base interactions energy: -135.458 where: short stacking energy: -49.680 Base-Backbone interact. energy: -0.356 local terms energy: -54.175888 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -7.983 tors. eta vs tors. theta energy: -8.258 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: 5 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -285.561832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.561832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.561832 (E_RNA) where: Base-Base interactions energy: -202.959 where: short stacking energy: -84.691 Base-Backbone interact. energy: 0.285 local terms energy: -82.888470 where: bonds (distance) C4'-P energy: -18.669 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -16.776 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -22.277 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: 2, replica: 4 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -279.933076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.933076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.933076 (E_RNA) where: Base-Base interactions energy: -198.809 where: short stacking energy: -85.485 Base-Backbone interact. energy: 1.449 local terms energy: -82.573379 where: bonds (distance) C4'-P energy: -18.401 bonds (distance) P-C4' energy: -14.971 flat angles C4'-P-C4' energy: -18.883 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -20.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -274.716668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.716668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.716668 (E_RNA) where: Base-Base interactions energy: -199.052 where: short stacking energy: -84.112 Base-Backbone interact. energy: -1.054 local terms energy: -74.610077 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -9.933 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -14.072 tors. eta vs tors. theta energy: -20.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -270.986593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.986593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.986593 (E_RNA) where: Base-Base interactions energy: -202.245 where: short stacking energy: -80.888 Base-Backbone interact. energy: -1.111 local terms energy: -67.631191 where: bonds (distance) C4'-P energy: -9.751 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -16.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -267.102697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.102697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.102697 (E_RNA) where: Base-Base interactions energy: -198.794 where: short stacking energy: -82.651 Base-Backbone interact. energy: -0.776 local terms energy: -67.532249 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -11.471 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -21.153 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: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -262.664877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.664877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.664877 (E_RNA) where: Base-Base interactions energy: -191.506 where: short stacking energy: -78.923 Base-Backbone interact. energy: 1.097 local terms energy: -72.256328 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -19.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -264.939408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.939408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.939408 (E_RNA) where: Base-Base interactions energy: -191.434 where: short stacking energy: -76.821 Base-Backbone interact. energy: -0.580 local terms energy: -72.926243 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -16.534 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -13.631 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -202.205247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.205247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.205247 (E_RNA) where: Base-Base interactions energy: -142.691 where: short stacking energy: -68.528 Base-Backbone interact. energy: -0.014 local terms energy: -59.500228 where: bonds (distance) C4'-P energy: -10.772 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -17.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -194.433726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.433726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.433726 (E_RNA) where: Base-Base interactions energy: -138.285 where: short stacking energy: -62.627 Base-Backbone interact. energy: -0.107 local terms energy: -56.041911 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -6.084 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -12.241 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: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -200.983740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.983740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.983740 (E_RNA) where: Base-Base interactions energy: -131.338 where: short stacking energy: -68.933 Base-Backbone interact. energy: -0.001 local terms energy: -69.644651 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -11.221 tors. eta vs tors. theta energy: -16.051 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: 5 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -288.107471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.107471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.107471 (E_RNA) where: Base-Base interactions energy: -209.868 where: short stacking energy: -83.937 Base-Backbone interact. energy: -0.052 local terms energy: -78.187898 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -18.793 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -20.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -279.638317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.638317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.638317 (E_RNA) where: Base-Base interactions energy: -196.097 where: short stacking energy: -78.360 Base-Backbone interact. energy: 0.039 local terms energy: -83.580338 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -17.697 flat angles C4'-P-C4' energy: -17.705 flat angles P-C4'-P energy: -14.876 tors. eta vs tors. theta energy: -17.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -287.716250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.716250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.716250 (E_RNA) where: Base-Base interactions energy: -208.602 where: short stacking energy: -86.248 Base-Backbone interact. energy: -0.577 local terms energy: -78.536961 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -16.565 flat angles C4'-P-C4' energy: -18.099 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -19.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -278.009416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.009416 (E_RNA) where: Base-Base interactions energy: -199.534 where: short stacking energy: -85.950 Base-Backbone interact. energy: -0.140 local terms energy: -78.335181 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -18.002 flat angles C4'-P-C4' energy: -14.835 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -21.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -262.343114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.343114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.343114 (E_RNA) where: Base-Base interactions energy: -183.374 where: short stacking energy: -69.144 Base-Backbone interact. energy: 0.193 local terms energy: -79.161829 where: bonds (distance) C4'-P energy: -18.646 bonds (distance) P-C4' energy: -18.753 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -17.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -268.402196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.402196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.402196 (E_RNA) where: Base-Base interactions energy: -190.940 where: short stacking energy: -84.863 Base-Backbone interact. energy: -0.474 local terms energy: -76.988660 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -19.063 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -20.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -230.871523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.871523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.871523 (E_RNA) where: Base-Base interactions energy: -157.345 where: short stacking energy: -65.831 Base-Backbone interact. energy: -0.862 local terms energy: -72.664246 where: bonds (distance) C4'-P energy: -16.699 bonds (distance) P-C4' energy: -15.857 flat angles C4'-P-C4' energy: -19.115 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -11.779 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: 9 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -203.709933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.709933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.709933 (E_RNA) where: Base-Base interactions energy: -134.650 where: short stacking energy: -58.022 Base-Backbone interact. energy: -0.079 local terms energy: -68.981032 where: bonds (distance) C4'-P energy: -15.168 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -11.501 tors. eta vs tors. theta energy: -11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -206.733312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.733312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.733312 (E_RNA) where: Base-Base interactions energy: -139.265 where: short stacking energy: -68.992 Base-Backbone interact. energy: -0.323 local terms energy: -67.145630 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -14.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -200.192755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.192755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.192755 (E_RNA) where: Base-Base interactions energy: -142.234 where: short stacking energy: -65.430 Base-Backbone interact. energy: -0.246 local terms energy: -57.712943 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -11.044 flat angles C4'-P-C4' energy: -17.501 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -12.592 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: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -287.962777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.962777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.962777 (E_RNA) where: Base-Base interactions energy: -208.258 where: short stacking energy: -83.504 Base-Backbone interact. energy: -0.461 local terms energy: -79.244358 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -18.661 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -21.145 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: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -279.536294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.536294 (E_RNA) where: Base-Base interactions energy: -200.222 where: short stacking energy: -86.253 Base-Backbone interact. energy: -1.231 local terms energy: -78.082954 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -16.698 flat angles C4'-P-C4' energy: -17.490 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -18.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -279.155596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.155596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.155596 (E_RNA) where: Base-Base interactions energy: -198.758 where: short stacking energy: -87.656 Base-Backbone interact. energy: -0.903 local terms energy: -79.495028 where: bonds (distance) C4'-P energy: -17.596 bonds (distance) P-C4' energy: -16.866 flat angles C4'-P-C4' energy: -16.433 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -17.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -269.762630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.762630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.762630 (E_RNA) where: Base-Base interactions energy: -195.888 where: short stacking energy: -85.007 Base-Backbone interact. energy: 0.604 local terms energy: -74.478127 where: bonds (distance) C4'-P energy: -15.247 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -17.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -260.439517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.439517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.439517 (E_RNA) where: Base-Base interactions energy: -181.823 where: short stacking energy: -75.547 Base-Backbone interact. energy: -1.332 local terms energy: -77.284605 where: bonds (distance) C4'-P energy: -16.982 bonds (distance) P-C4' energy: -16.885 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -11.489 tors. eta vs tors. theta energy: -16.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -265.511932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.511932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.511932 (E_RNA) where: Base-Base interactions energy: -195.009 where: short stacking energy: -81.366 Base-Backbone interact. energy: -0.367 local terms energy: -70.135647 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -17.039 flat angles C4'-P-C4' energy: -16.488 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -16.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -205.751743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.751743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.751743 (E_RNA) where: Base-Base interactions energy: -139.349 where: short stacking energy: -71.118 Base-Backbone interact. energy: 1.296 local terms energy: -67.699316 where: bonds (distance) C4'-P energy: -10.941 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -17.474 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -17.514 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: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -244.628228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.628228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.628228 (E_RNA) where: Base-Base interactions energy: -172.577 where: short stacking energy: -69.326 Base-Backbone interact. energy: -0.136 local terms energy: -71.915268 where: bonds (distance) C4'-P energy: -14.350 bonds (distance) P-C4' energy: -16.959 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -12.273 tors. eta vs tors. theta energy: -16.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -200.153608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.153608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.153608 (E_RNA) where: Base-Base interactions energy: -141.439 where: short stacking energy: -66.996 Base-Backbone interact. energy: -0.101 local terms energy: -58.613814 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -12.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -192.990192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.990192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.990192 (E_RNA) where: Base-Base interactions energy: -124.148 where: short stacking energy: -57.794 Base-Backbone interact. energy: 0.335 local terms energy: -69.176445 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -12.502 tors. eta vs tors. theta energy: -16.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -284.345008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.345008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.345008 (E_RNA) where: Base-Base interactions energy: -200.420 where: short stacking energy: -83.742 Base-Backbone interact. energy: -1.134 local terms energy: -82.791428 where: bonds (distance) C4'-P energy: -17.375 bonds (distance) P-C4' energy: -18.467 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -11.225 tors. eta vs tors. theta energy: -21.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -284.130573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.130573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.130573 (E_RNA) where: Base-Base interactions energy: -202.646 where: short stacking energy: -87.239 Base-Backbone interact. energy: -1.236 local terms energy: -80.248320 where: bonds (distance) C4'-P energy: -17.396 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -18.637 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -19.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -276.942997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.942997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.942997 (E_RNA) where: Base-Base interactions energy: -203.998 where: short stacking energy: -83.252 Base-Backbone interact. energy: -1.288 local terms energy: -71.657779 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -17.737 flat angles P-C4'-P energy: -9.762 tors. eta vs tors. theta energy: -19.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -276.064416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.064416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.064416 (E_RNA) where: Base-Base interactions energy: -190.965 where: short stacking energy: -78.592 Base-Backbone interact. energy: -0.254 local terms energy: -84.845827 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -19.135 flat angles C4'-P-C4' energy: -19.052 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -21.642 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: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -269.139670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.139670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.139670 (E_RNA) where: Base-Base interactions energy: -191.788 where: short stacking energy: -84.365 Base-Backbone interact. energy: 1.112 local terms energy: -78.463950 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -19.503 flat angles C4'-P-C4' energy: -17.507 flat angles P-C4'-P energy: -13.698 tors. eta vs tors. theta energy: -13.283 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: 6, replica: 10 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -256.134908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.134908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.134908 (E_RNA) where: Base-Base interactions energy: -191.024 where: short stacking energy: -73.364 Base-Backbone interact. energy: -0.127 local terms energy: -64.983787 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -204.060853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.060853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.060853 (E_RNA) where: Base-Base interactions energy: -138.045 where: short stacking energy: -64.191 Base-Backbone interact. energy: -0.129 local terms energy: -65.886682 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -15.061 flat angles C4'-P-C4' energy: -9.991 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -16.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -254.703160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.703160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.703160 (E_RNA) where: Base-Base interactions energy: -179.485 where: short stacking energy: -75.230 Base-Backbone interact. energy: -0.371 local terms energy: -74.847350 where: bonds (distance) C4'-P energy: -17.031 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -17.300 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -17.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -195.742135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.742135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.742135 (E_RNA) where: Base-Base interactions energy: -132.327 where: short stacking energy: -66.043 Base-Backbone interact. energy: -0.136 local terms energy: -63.279350 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -15.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -169.811683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.811683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.811683 (E_RNA) where: Base-Base interactions energy: -112.291 where: short stacking energy: -63.462 Base-Backbone interact. energy: -0.060 local terms energy: -57.460450 where: bonds (distance) C4'-P energy: -8.330 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -11.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -290.377772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.377772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.377772 (E_RNA) where: Base-Base interactions energy: -210.898 where: short stacking energy: -93.594 Base-Backbone interact. energy: -0.015 local terms energy: -79.464578 where: bonds (distance) C4'-P energy: -16.462 bonds (distance) P-C4' energy: -11.622 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -13.120 tors. eta vs tors. theta energy: -21.727 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: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -282.152991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.152991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.152991 (E_RNA) where: Base-Base interactions energy: -204.000 where: short stacking energy: -86.225 Base-Backbone interact. energy: 0.516 local terms energy: -78.669054 where: bonds (distance) C4'-P energy: -16.418 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -18.889 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -19.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -282.272865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.272865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.272865 (E_RNA) where: Base-Base interactions energy: -201.621 where: short stacking energy: -84.832 Base-Backbone interact. energy: -0.320 local terms energy: -80.331845 where: bonds (distance) C4'-P energy: -17.336 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -11.739 tors. eta vs tors. theta energy: -18.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -275.710556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.710556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.710556 (E_RNA) where: Base-Base interactions energy: -190.975 where: short stacking energy: -79.993 Base-Backbone interact. energy: -0.574 local terms energy: -84.161079 where: bonds (distance) C4'-P energy: -17.752 bonds (distance) P-C4' energy: -16.952 flat angles C4'-P-C4' energy: -15.439 flat angles P-C4'-P energy: -13.190 tors. eta vs tors. theta energy: -20.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -254.829327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -254.829327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -254.829327 (E_RNA) where: Base-Base interactions energy: -176.986 where: short stacking energy: -72.664 Base-Backbone interact. energy: -0.422 local terms energy: -77.420513 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -15.813 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -13.479 tors. eta vs tors. theta energy: -16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -256.116062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.116062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.116062 (E_RNA) where: Base-Base interactions energy: -192.531 where: short stacking energy: -78.968 Base-Backbone interact. energy: 0.644 local terms energy: -64.229179 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -10.187 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -266.591339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.591339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.591339 (E_RNA) where: Base-Base interactions energy: -189.942 where: short stacking energy: -75.259 Base-Backbone interact. energy: -0.276 local terms energy: -76.373207 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -15.733 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -207.317559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.317559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.317559 (E_RNA) where: Base-Base interactions energy: -143.936 where: short stacking energy: -66.599 Base-Backbone interact. energy: -0.778 local terms energy: -62.603972 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -15.394 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -8.506 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: 9, replica: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -215.708475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.708475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.708475 (E_RNA) where: Base-Base interactions energy: -137.776 where: short stacking energy: -64.227 Base-Backbone interact. energy: 1.458 local terms energy: -79.390349 where: bonds (distance) C4'-P energy: -18.604 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -16.851 flat angles P-C4'-P energy: -12.156 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -186.109591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.109591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.109591 (E_RNA) where: Base-Base interactions energy: -122.979 where: short stacking energy: -57.116 Base-Backbone interact. energy: -0.058 local terms energy: -63.072543 where: bonds (distance) C4'-P energy: -16.596 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -13.528 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: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -284.458667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.458667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.458667 (E_RNA) where: Base-Base interactions energy: -204.255 where: short stacking energy: -89.613 Base-Backbone interact. energy: 1.029 local terms energy: -81.232330 where: bonds (distance) C4'-P energy: -16.298 bonds (distance) P-C4' energy: -18.226 flat angles C4'-P-C4' energy: -16.761 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -20.346 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: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -283.622768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.622768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.622768 (E_RNA) where: Base-Base interactions energy: -195.913 where: short stacking energy: -83.978 Base-Backbone interact. energy: -0.009 local terms energy: -87.701196 where: bonds (distance) C4'-P energy: -17.317 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -19.360 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -20.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -280.328020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.328020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.328020 (E_RNA) where: Base-Base interactions energy: -199.533 where: short stacking energy: -86.851 Base-Backbone interact. energy: -0.102 local terms energy: -80.692978 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -19.351 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -21.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -267.000277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.000277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.000277 (E_RNA) where: Base-Base interactions energy: -198.945 where: short stacking energy: -81.778 Base-Backbone interact. energy: -0.270 local terms energy: -67.785718 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -16.753 flat angles P-C4'-P energy: -12.503 tors. eta vs tors. theta energy: -16.584 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: 5, replica: 5 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -266.521851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.521851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.521851 (E_RNA) where: Base-Base interactions energy: -193.431 where: short stacking energy: -77.544 Base-Backbone interact. energy: -0.404 local terms energy: -72.687652 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -18.147 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -21.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -244.863251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -244.863251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -244.863251 (E_RNA) where: Base-Base interactions energy: -182.626 where: short stacking energy: -76.873 Base-Backbone interact. energy: 0.061 local terms energy: -62.298123 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -17.379 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -14.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -251.010710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.010710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.010710 (E_RNA) where: Base-Base interactions energy: -176.756 where: short stacking energy: -69.819 Base-Backbone interact. energy: 0.643 local terms energy: -74.897349 where: bonds (distance) C4'-P energy: -16.109 bonds (distance) P-C4' energy: -16.271 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -15.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -206.639206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.639206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.639206 (E_RNA) where: Base-Base interactions energy: -139.147 where: short stacking energy: -70.302 Base-Backbone interact. energy: -0.042 local terms energy: -67.449791 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -17.907 flat angles C4'-P-C4' energy: -18.348 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -12.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -204.361968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.361968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.361968 (E_RNA) where: Base-Base interactions energy: -142.345 where: short stacking energy: -63.436 Base-Backbone interact. energy: -0.277 local terms energy: -61.740061 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -9.454 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -16.285 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: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -196.353940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.353940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.353940 (E_RNA) where: Base-Base interactions energy: -151.013 where: short stacking energy: -63.272 Base-Backbone interact. energy: -0.796 local terms energy: -44.544424 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -9.630 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -8.198 tors. eta vs tors. theta energy: -10.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -292.306570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.306570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.306570 (E_RNA) where: Base-Base interactions energy: -205.201 where: short stacking energy: -92.994 Base-Backbone interact. energy: -0.061 local terms energy: -87.043837 where: bonds (distance) C4'-P energy: -17.599 bonds (distance) P-C4' energy: -17.364 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -14.260 tors. eta vs tors. theta energy: -20.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -282.214999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.214999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.214999 (E_RNA) where: Base-Base interactions energy: -200.428 where: short stacking energy: -89.498 Base-Backbone interact. energy: -1.344 local terms energy: -80.443116 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -17.458 flat angles C4'-P-C4' energy: -17.524 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -21.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -277.449917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.449917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.449917 (E_RNA) where: Base-Base interactions energy: -199.776 where: short stacking energy: -82.420 Base-Backbone interact. energy: 1.346 local terms energy: -79.019847 where: bonds (distance) C4'-P energy: -16.637 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -20.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -273.689365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.689365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.689365 (E_RNA) where: Base-Base interactions energy: -199.252 where: short stacking energy: -79.200 Base-Backbone interact. energy: -0.224 local terms energy: -74.214109 where: bonds (distance) C4'-P energy: -14.530 bonds (distance) P-C4' energy: -17.325 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -20.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -270.144359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.144359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.144359 (E_RNA) where: Base-Base interactions energy: -193.595 where: short stacking energy: -79.876 Base-Backbone interact. energy: -0.642 local terms energy: -75.907281 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -16.978 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -17.878 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: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -252.365389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.365389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.365389 (E_RNA) where: Base-Base interactions energy: -183.108 where: short stacking energy: -70.247 Base-Backbone interact. energy: -0.037 local terms energy: -69.220030 where: bonds (distance) C4'-P energy: -14.654 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -13.100 tors. eta vs tors. theta energy: -11.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -197.555533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.555533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.555533 (E_RNA) where: Base-Base interactions energy: -126.961 where: short stacking energy: -57.055 Base-Backbone interact. energy: -0.239 local terms energy: -70.355688 where: bonds (distance) C4'-P energy: -15.437 bonds (distance) P-C4' energy: -18.397 flat angles C4'-P-C4' energy: -15.854 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -10.931 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: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -230.466936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.466936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.466936 (E_RNA) where: Base-Base interactions energy: -163.659 where: short stacking energy: -67.087 Base-Backbone interact. energy: -0.677 local terms energy: -66.130866 where: bonds (distance) C4'-P energy: -13.458 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -15.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -197.494547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.494547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.494547 (E_RNA) where: Base-Base interactions energy: -120.126 where: short stacking energy: -59.115 Base-Backbone interact. energy: -0.004 local terms energy: -77.364779 where: bonds (distance) C4'-P energy: -19.495 bonds (distance) P-C4' energy: -13.711 flat angles C4'-P-C4' energy: -16.637 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -17.813 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: 10, replica: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -142.993656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.993656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.993656 (E_RNA) where: Base-Base interactions energy: -90.506 where: short stacking energy: -49.642 Base-Backbone interact. energy: -0.402 local terms energy: -52.085216 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -11.524 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -9.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -286.313962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.313962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.313962 (E_RNA) where: Base-Base interactions energy: -199.509 where: short stacking energy: -87.430 Base-Backbone interact. energy: -0.039 local terms energy: -86.766310 where: bonds (distance) C4'-P energy: -18.754 bonds (distance) P-C4' energy: -18.566 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -15.688 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -284.488629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.488629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.488629 (E_RNA) where: Base-Base interactions energy: -203.331 where: short stacking energy: -81.460 Base-Backbone interact. energy: -0.133 local terms energy: -81.024296 where: bonds (distance) C4'-P energy: -19.047 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -19.248 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -20.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -283.275764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.275764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.275764 (E_RNA) where: Base-Base interactions energy: -198.589 where: short stacking energy: -87.373 Base-Backbone interact. energy: 0.547 local terms energy: -85.234090 where: bonds (distance) C4'-P energy: -16.854 bonds (distance) P-C4' energy: -15.848 flat angles C4'-P-C4' energy: -19.360 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -22.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -272.783803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.783803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.783803 (E_RNA) where: Base-Base interactions energy: -197.597 where: short stacking energy: -82.959 Base-Backbone interact. energy: -0.104 local terms energy: -75.082825 where: bonds (distance) C4'-P energy: -18.456 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -9.382 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -21.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -262.664795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.664795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.664795 (E_RNA) where: Base-Base interactions energy: -187.460 where: short stacking energy: -79.765 Base-Backbone interact. energy: -0.601 local terms energy: -74.604042 where: bonds (distance) C4'-P energy: -14.846 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -16.863 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -19.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -256.136001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.136001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.136001 (E_RNA) where: Base-Base interactions energy: -174.319 where: short stacking energy: -68.359 Base-Backbone interact. energy: 0.059 local terms energy: -81.876139 where: bonds (distance) C4'-P energy: -17.582 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -18.084 flat angles P-C4'-P energy: -12.127 tors. eta vs tors. theta energy: -17.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -202.979207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.979207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.979207 (E_RNA) where: Base-Base interactions energy: -144.529 where: short stacking energy: -73.381 Base-Backbone interact. energy: -0.034 local terms energy: -58.416486 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -19.002 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: 1.077 tors. eta vs tors. theta energy: -17.427 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: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -199.039909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.039909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.039909 (E_RNA) where: Base-Base interactions energy: -131.923 where: short stacking energy: -64.281 Base-Backbone interact. energy: 0.849 local terms energy: -67.965865 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -15.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -213.582877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.582877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.582877 (E_RNA) where: Base-Base interactions energy: -149.958 where: short stacking energy: -83.477 Base-Backbone interact. energy: -0.072 local terms energy: -63.553097 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -18.290 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: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -153.995365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.995365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.995365 (E_RNA) where: Base-Base interactions energy: -92.183 where: short stacking energy: -61.544 Base-Backbone interact. energy: -0.005 local terms energy: -61.808252 where: bonds (distance) C4'-P energy: -17.160 bonds (distance) P-C4' energy: -16.641 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -10.151 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: 426 Temperature: 0.900000 Total energy: -293.568630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.568630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.568630 (E_RNA) where: Base-Base interactions energy: -209.200 where: short stacking energy: -86.868 Base-Backbone interact. energy: -0.183 local terms energy: -84.185093 where: bonds (distance) C4'-P energy: -17.056 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -18.799 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -21.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -279.973542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.973542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.973542 (E_RNA) where: Base-Base interactions energy: -199.318 where: short stacking energy: -88.678 Base-Backbone interact. energy: -0.077 local terms energy: -80.579154 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -17.631 flat angles C4'-P-C4' energy: -18.758 flat angles P-C4'-P energy: -12.805 tors. eta vs tors. theta energy: -18.519 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: 2 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -278.596961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.596961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.596961 (E_RNA) where: Base-Base interactions energy: -201.308 where: short stacking energy: -81.860 Base-Backbone interact. energy: -0.102 local terms energy: -77.186233 where: bonds (distance) C4'-P energy: -15.662 bonds (distance) P-C4' energy: -16.301 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -21.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -274.503278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.503278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.503278 (E_RNA) where: Base-Base interactions energy: -195.631 where: short stacking energy: -88.552 Base-Backbone interact. energy: -0.163 local terms energy: -78.709518 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -14.760 tors. eta vs tors. theta energy: -20.044 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: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -273.547170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.547170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.547170 (E_RNA) where: Base-Base interactions energy: -193.360 where: short stacking energy: -82.103 Base-Backbone interact. energy: 1.312 local terms energy: -81.498378 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -18.368 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -11.577 tors. eta vs tors. theta energy: -22.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -257.901898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.901898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.901898 (E_RNA) where: Base-Base interactions energy: -187.483 where: short stacking energy: -75.382 Base-Backbone interact. energy: -0.700 local terms energy: -69.719040 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -18.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -205.032632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.032632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.032632 (E_RNA) where: Base-Base interactions energy: -137.452 where: short stacking energy: -65.019 Base-Backbone interact. energy: -0.068 local terms energy: -67.512953 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -15.693 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -13.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -216.575928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.575928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.575928 (E_RNA) where: Base-Base interactions energy: -140.173 where: short stacking energy: -70.257 Base-Backbone interact. energy: -0.010 local terms energy: -76.392770 where: bonds (distance) C4'-P energy: -17.673 bonds (distance) P-C4' energy: -16.008 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -191.490693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.490693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.490693 (E_RNA) where: Base-Base interactions energy: -120.898 where: short stacking energy: -52.550 Base-Backbone interact. energy: -0.191 local terms energy: -70.401567 where: bonds (distance) C4'-P energy: -15.889 bonds (distance) P-C4' energy: -16.516 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -11.049 tors. eta vs tors. theta energy: -11.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -89.752674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.752674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.752674 (E_RNA) where: Base-Base interactions energy: -40.702 where: short stacking energy: -40.702 Base-Backbone interact. energy: -0.138 local terms energy: -48.913020 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -10.373 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -290.531810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.531810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.531810 (E_RNA) where: Base-Base interactions energy: -204.780 where: short stacking energy: -86.575 Base-Backbone interact. energy: -0.179 local terms energy: -85.572225 where: bonds (distance) C4'-P energy: -16.738 bonds (distance) P-C4' energy: -16.782 flat angles C4'-P-C4' energy: -19.997 flat angles P-C4'-P energy: -12.436 tors. eta vs tors. theta energy: -19.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -280.046629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.046629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.046629 (E_RNA) where: Base-Base interactions energy: -200.144 where: short stacking energy: -83.317 Base-Backbone interact. energy: -0.325 local terms energy: -79.578470 where: bonds (distance) C4'-P energy: -19.428 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -20.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -279.355154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.355154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.355154 (E_RNA) where: Base-Base interactions energy: -201.350 where: short stacking energy: -89.542 Base-Backbone interact. energy: -0.082 local terms energy: -77.922230 where: bonds (distance) C4'-P energy: -17.636 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -20.137 flat angles P-C4'-P energy: -10.104 tors. eta vs tors. theta energy: -17.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -269.606146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.606146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.606146 (E_RNA) where: Base-Base interactions energy: -190.359 where: short stacking energy: -78.663 Base-Backbone interact. energy: -0.095 local terms energy: -79.151886 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -15.575 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -16.201 tors. eta vs tors. theta energy: -16.911 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: 5, replica: 5 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -272.962532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.962532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.962532 (E_RNA) where: Base-Base interactions energy: -197.094 where: short stacking energy: -84.364 Base-Backbone interact. energy: -0.135 local terms energy: -75.733111 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -16.549 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -19.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -243.042926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.042926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.042926 (E_RNA) where: Base-Base interactions energy: -177.088 where: short stacking energy: -72.605 Base-Backbone interact. energy: 0.148 local terms energy: -66.102690 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -18.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -203.732479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.732479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.732479 (E_RNA) where: Base-Base interactions energy: -143.350 where: short stacking energy: -55.228 Base-Backbone interact. energy: -0.350 local terms energy: -60.032631 where: bonds (distance) C4'-P energy: -15.255 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -13.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -187.085684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.085684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.085684 (E_RNA) where: Base-Base interactions energy: -119.473 where: short stacking energy: -52.558 Base-Backbone interact. energy: 0.215 local terms energy: -67.827644 where: bonds (distance) C4'-P energy: -17.707 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -16.450 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -9.134 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: 1 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -196.040982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.040982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.040982 (E_RNA) where: Base-Base interactions energy: -120.210 where: short stacking energy: -56.615 Base-Backbone interact. energy: 0.220 local terms energy: -76.050935 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -19.646 flat angles P-C4'-P energy: -11.934 tors. eta vs tors. theta energy: -13.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -97.445478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.445478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.445478 (E_RNA) where: Base-Base interactions energy: -47.341 where: short stacking energy: -47.341 Base-Backbone interact. energy: -0.333 local terms energy: -49.771730 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -7.772 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: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -288.613088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.613088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.613088 (E_RNA) where: Base-Base interactions energy: -201.563 where: short stacking energy: -89.226 Base-Backbone interact. energy: -0.828 local terms energy: -86.222283 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -17.820 flat angles P-C4'-P energy: -15.470 tors. eta vs tors. theta energy: -20.629 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: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -283.105473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.105473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.105473 (E_RNA) where: Base-Base interactions energy: -201.843 where: short stacking energy: -84.246 Base-Backbone interact. energy: 0.958 local terms energy: -82.220435 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -16.646 flat angles C4'-P-C4' energy: -18.201 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -19.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -277.015318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.015318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.015318 (E_RNA) where: Base-Base interactions energy: -192.055 where: short stacking energy: -83.717 Base-Backbone interact. energy: -0.128 local terms energy: -84.832734 where: bonds (distance) C4'-P energy: -16.932 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -17.735 flat angles P-C4'-P energy: -10.863 tors. eta vs tors. theta energy: -21.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -268.009991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.009991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.009991 (E_RNA) where: Base-Base interactions energy: -191.650 where: short stacking energy: -73.272 Base-Backbone interact. energy: -0.128 local terms energy: -76.232210 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -17.308 flat angles C4'-P-C4' energy: -16.385 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -261.437866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.437866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.437866 (E_RNA) where: Base-Base interactions energy: -191.842 where: short stacking energy: -86.801 Base-Backbone interact. energy: -0.112 local terms energy: -69.483774 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -18.042 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -260.929558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.929558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.929558 (E_RNA) where: Base-Base interactions energy: -183.385 where: short stacking energy: -77.427 Base-Backbone interact. energy: -0.769 local terms energy: -76.774659 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -17.954 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -19.135 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: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -214.768129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.768129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.768129 (E_RNA) where: Base-Base interactions energy: -143.074 where: short stacking energy: -74.745 Base-Backbone interact. energy: -0.002 local terms energy: -71.691722 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -19.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -195.380706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.380706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.380706 (E_RNA) where: Base-Base interactions energy: -139.270 where: short stacking energy: -67.615 Base-Backbone interact. energy: -0.106 local terms energy: -56.004566 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -10.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -194.399416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.399416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.399416 (E_RNA) where: Base-Base interactions energy: -134.879 where: short stacking energy: -61.626 Base-Backbone interact. energy: -0.010 local terms energy: -59.510476 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -8.644 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: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -99.480004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.480004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.480004 (E_RNA) where: Base-Base interactions energy: -39.574 where: short stacking energy: -37.610 Base-Backbone interact. energy: -0.022 local terms energy: -59.884222 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -18.594 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -12.713 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: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -284.283982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.283982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.283982 (E_RNA) where: Base-Base interactions energy: -209.364 where: short stacking energy: -90.357 Base-Backbone interact. energy: -0.111 local terms energy: -74.808682 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -15.606 flat angles C4'-P-C4' energy: -18.657 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -18.748 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: 429 Temperature: 0.950000 Total energy: -277.953986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.953986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.953986 (E_RNA) where: Base-Base interactions energy: -197.407 where: short stacking energy: -84.175 Base-Backbone interact. energy: -0.368 local terms energy: -80.178897 where: bonds (distance) C4'-P energy: -17.727 bonds (distance) P-C4' energy: -17.970 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -20.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -273.661920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.661920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.661920 (E_RNA) where: Base-Base interactions energy: -194.994 where: short stacking energy: -81.579 Base-Backbone interact. energy: -0.159 local terms energy: -78.509135 where: bonds (distance) C4'-P energy: -15.372 bonds (distance) P-C4' energy: -16.867 flat angles C4'-P-C4' energy: -18.079 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -16.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -278.118809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.118809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.118809 (E_RNA) where: Base-Base interactions energy: -193.230 where: short stacking energy: -87.255 Base-Backbone interact. energy: 0.136 local terms energy: -85.025298 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -18.235 flat angles C4'-P-C4' energy: -18.895 flat angles P-C4'-P energy: -11.814 tors. eta vs tors. theta energy: -22.267 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: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -265.113209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.113209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.113209 (E_RNA) where: Base-Base interactions energy: -186.104 where: short stacking energy: -76.994 Base-Backbone interact. energy: -0.157 local terms energy: -78.852364 where: bonds (distance) C4'-P energy: -17.992 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -18.631 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: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -267.321592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.321592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.321592 (E_RNA) where: Base-Base interactions energy: -190.560 where: short stacking energy: -80.667 Base-Backbone interact. energy: -0.386 local terms energy: -76.375491 where: bonds (distance) C4'-P energy: -15.215 bonds (distance) P-C4' energy: -14.925 flat angles C4'-P-C4' energy: -16.517 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -22.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -211.781562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.781562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.781562 (E_RNA) where: Base-Base interactions energy: -139.803 where: short stacking energy: -69.134 Base-Backbone interact. energy: -0.101 local terms energy: -71.878227 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -18.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -209.343436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.343436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.343436 (E_RNA) where: Base-Base interactions energy: -139.395 where: short stacking energy: -66.096 Base-Backbone interact. energy: -0.056 local terms energy: -69.892639 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -18.737 flat angles C4'-P-C4' energy: -17.524 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -13.708 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: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -196.944327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.944327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.944327 (E_RNA) where: Base-Base interactions energy: -134.712 where: short stacking energy: -65.716 Base-Backbone interact. energy: -0.047 local terms energy: -62.184877 where: bonds (distance) C4'-P energy: -12.374 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -15.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -103.948655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.948655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.948655 (E_RNA) where: Base-Base interactions energy: -53.206 where: short stacking energy: -53.197 Base-Backbone interact. energy: -0.457 local terms energy: -50.285117 where: bonds (distance) C4'-P energy: -7.827 bonds (distance) P-C4' energy: -18.460 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -4.754 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: 1, replica: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -286.415118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.415118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.415118 (E_RNA) where: Base-Base interactions energy: -204.832 where: short stacking energy: -83.061 Base-Backbone interact. energy: -0.637 local terms energy: -80.946052 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -17.674 flat angles C4'-P-C4' energy: -18.873 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -19.277 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: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -277.090733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.090733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.090733 (E_RNA) where: Base-Base interactions energy: -198.253 where: short stacking energy: -86.382 Base-Backbone interact. energy: -0.191 local terms energy: -78.646256 where: bonds (distance) C4'-P energy: -14.784 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -10.918 tors. eta vs tors. theta energy: -20.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -278.124573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.124573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.124573 (E_RNA) where: Base-Base interactions energy: -198.879 where: short stacking energy: -78.981 Base-Backbone interact. energy: -0.462 local terms energy: -78.783756 where: bonds (distance) C4'-P energy: -18.667 bonds (distance) P-C4' energy: -17.560 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -20.589 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: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -275.826136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.826136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.826136 (E_RNA) where: Base-Base interactions energy: -196.155 where: short stacking energy: -84.561 Base-Backbone interact. energy: -1.876 local terms energy: -77.794937 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -17.626 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -18.295 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: 5, replica: 10 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -273.474852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.474852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.474852 (E_RNA) where: Base-Base interactions energy: -199.800 where: short stacking energy: -83.026 Base-Backbone interact. energy: -0.154 local terms energy: -73.520441 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -18.887 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -9.677 tors. eta vs tors. theta energy: -18.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -259.832391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.832391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.832391 (E_RNA) where: Base-Base interactions energy: -182.839 where: short stacking energy: -72.337 Base-Backbone interact. energy: -0.256 local terms energy: -76.738177 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -13.915 flat angles C4'-P-C4' energy: -18.748 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -17.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -207.391582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.391582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.391582 (E_RNA) where: Base-Base interactions energy: -133.887 where: short stacking energy: -66.508 Base-Backbone interact. energy: -0.074 local terms energy: -73.430785 where: bonds (distance) C4'-P energy: -15.962 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -13.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -208.573687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.573687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.573687 (E_RNA) where: Base-Base interactions energy: -148.207 where: short stacking energy: -55.532 Base-Backbone interact. energy: -0.200 local terms energy: -60.166300 where: bonds (distance) C4'-P energy: -15.926 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -14.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -189.835982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.835982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.835982 (E_RNA) where: Base-Base interactions energy: -131.370 where: short stacking energy: -60.679 Base-Backbone interact. energy: -0.129 local terms energy: -58.337693 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -16.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -103.821966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.821966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.821966 (E_RNA) where: Base-Base interactions energy: -53.336 where: short stacking energy: -38.990 Base-Backbone interact. energy: -0.071 local terms energy: -50.415037 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -288.177011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.177011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.177011 (E_RNA) where: Base-Base interactions energy: -203.441 where: short stacking energy: -89.882 Base-Backbone interact. energy: -0.074 local terms energy: -84.661720 where: bonds (distance) C4'-P energy: -14.068 bonds (distance) P-C4' energy: -17.765 flat angles C4'-P-C4' energy: -17.350 flat angles P-C4'-P energy: -13.513 tors. eta vs tors. theta energy: -21.966 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: 6 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -282.220370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.220370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.220370 (E_RNA) where: Base-Base interactions energy: -194.234 where: short stacking energy: -84.350 Base-Backbone interact. energy: -1.412 local terms energy: -86.573834 where: bonds (distance) C4'-P energy: -17.132 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -17.837 flat angles P-C4'-P energy: -13.742 tors. eta vs tors. theta energy: -21.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -275.709690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.709690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.709690 (E_RNA) where: Base-Base interactions energy: -202.468 where: short stacking energy: -88.421 Base-Backbone interact. energy: 0.731 local terms energy: -73.973237 where: bonds (distance) C4'-P energy: -11.013 bonds (distance) P-C4' energy: -16.660 flat angles C4'-P-C4' energy: -18.420 flat angles P-C4'-P energy: -9.729 tors. eta vs tors. theta energy: -18.152 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: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -271.286767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.286767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.286767 (E_RNA) where: Base-Base interactions energy: -192.660 where: short stacking energy: -78.414 Base-Backbone interact. energy: -0.424 local terms energy: -78.203142 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -16.765 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -12.137 tors. eta vs tors. theta energy: -17.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -275.747006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.747006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.747006 (E_RNA) where: Base-Base interactions energy: -191.880 where: short stacking energy: -84.226 Base-Backbone interact. energy: -0.341 local terms energy: -83.525465 where: bonds (distance) C4'-P energy: -17.798 bonds (distance) P-C4' energy: -16.889 flat angles C4'-P-C4' energy: -20.131 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -21.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -257.470889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.470889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.470889 (E_RNA) where: Base-Base interactions energy: -188.400 where: short stacking energy: -76.077 Base-Backbone interact. energy: -0.081 local terms energy: -68.989617 where: bonds (distance) C4'-P energy: -16.594 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -18.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -209.436477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.436477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.436477 (E_RNA) where: Base-Base interactions energy: -141.996 where: short stacking energy: -68.367 Base-Backbone interact. energy: -0.043 local terms energy: -67.397796 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -197.083984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.083984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.083984 (E_RNA) where: Base-Base interactions energy: -138.528 where: short stacking energy: -49.412 Base-Backbone interact. energy: 1.015 local terms energy: -59.571013 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -15.454 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -7.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -197.003274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.003274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.003274 (E_RNA) where: Base-Base interactions energy: -124.405 where: short stacking energy: -57.112 Base-Backbone interact. energy: -0.287 local terms energy: -72.311153 where: bonds (distance) C4'-P energy: -15.098 bonds (distance) P-C4' energy: -15.505 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -12.472 tors. eta vs tors. theta energy: -13.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -107.905372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.905372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.905372 (E_RNA) where: Base-Base interactions energy: -57.284 where: short stacking energy: -29.185 Base-Backbone interact. energy: 0.901 local terms energy: -51.522480 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -11.599 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -290.150402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.150402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.150402 (E_RNA) where: Base-Base interactions energy: -204.932 where: short stacking energy: -86.891 Base-Backbone interact. energy: -0.983 local terms energy: -84.235053 where: bonds (distance) C4'-P energy: -17.467 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -14.842 tors. eta vs tors. theta energy: -19.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -279.451570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.451570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.451570 (E_RNA) where: Base-Base interactions energy: -202.335 where: short stacking energy: -82.813 Base-Backbone interact. energy: -1.515 local terms energy: -75.602063 where: bonds (distance) C4'-P energy: -15.674 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -17.034 flat angles P-C4'-P energy: -12.660 tors. eta vs tors. theta energy: -19.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -273.422132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.422132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.422132 (E_RNA) where: Base-Base interactions energy: -193.927 where: short stacking energy: -82.809 Base-Backbone interact. energy: -0.926 local terms energy: -78.569676 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -17.135 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -18.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -270.157438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.157438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.157438 (E_RNA) where: Base-Base interactions energy: -201.509 where: short stacking energy: -88.221 Base-Backbone interact. energy: -0.425 local terms energy: -68.223748 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -20.798 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: 5 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -265.003382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.003382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.003382 (E_RNA) where: Base-Base interactions energy: -201.103 where: short stacking energy: -81.914 Base-Backbone interact. energy: -0.096 local terms energy: -63.804456 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -15.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -267.868638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.868638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.868638 (E_RNA) where: Base-Base interactions energy: -187.600 where: short stacking energy: -79.620 Base-Backbone interact. energy: -0.532 local terms energy: -79.737240 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -18.219 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -20.343 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: 9 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -200.309088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.309088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.309088 (E_RNA) where: Base-Base interactions energy: -140.473 where: short stacking energy: -64.209 Base-Backbone interact. energy: -0.210 local terms energy: -59.625205 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -14.667 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -12.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -193.270605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.270605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.270605 (E_RNA) where: Base-Base interactions energy: -129.550 where: short stacking energy: -68.723 Base-Backbone interact. energy: -0.161 local terms energy: -63.559617 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -16.787 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -201.135843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.135843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.135843 (E_RNA) where: Base-Base interactions energy: -140.287 where: short stacking energy: -56.139 Base-Backbone interact. energy: 0.620 local terms energy: -61.469000 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -12.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -104.145038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.145038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.145038 (E_RNA) where: Base-Base interactions energy: -52.261 where: short stacking energy: -48.250 Base-Backbone interact. energy: -0.054 local terms energy: -51.830699 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -8.347 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: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -281.799839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.799839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.799839 (E_RNA) where: Base-Base interactions energy: -204.956 where: short stacking energy: -92.737 Base-Backbone interact. energy: -0.040 local terms energy: -76.803719 where: bonds (distance) C4'-P energy: -17.102 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -17.655 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -17.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -286.573653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.573653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.573653 (E_RNA) where: Base-Base interactions energy: -201.402 where: short stacking energy: -85.911 Base-Backbone interact. energy: -1.638 local terms energy: -83.533904 where: bonds (distance) C4'-P energy: -17.511 bonds (distance) P-C4' energy: -13.879 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -15.369 tors. eta vs tors. theta energy: -20.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -272.019052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.019052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.019052 (E_RNA) where: Base-Base interactions energy: -193.367 where: short stacking energy: -83.358 Base-Backbone interact. energy: -0.130 local terms energy: -78.521369 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -19.911 flat angles C4'-P-C4' energy: -17.062 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -18.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -272.420316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.420316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.420316 (E_RNA) where: Base-Base interactions energy: -195.764 where: short stacking energy: -78.444 Base-Backbone interact. energy: -0.456 local terms energy: -76.199601 where: bonds (distance) C4'-P energy: -16.757 bonds (distance) P-C4' energy: -15.151 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -11.552 tors. eta vs tors. theta energy: -20.693 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: 433 Temperature: 1.100000 Total energy: -263.858244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.858244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.858244 (E_RNA) where: Base-Base interactions energy: -183.977 where: short stacking energy: -74.641 Base-Backbone interact. energy: -0.092 local terms energy: -79.788389 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -17.445 flat angles C4'-P-C4' energy: -17.425 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -263.938281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.938281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.938281 (E_RNA) where: Base-Base interactions energy: -186.054 where: short stacking energy: -76.547 Base-Backbone interact. energy: -0.179 local terms energy: -77.705936 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -11.294 tors. eta vs tors. theta energy: -19.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -204.936430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.936430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.936430 (E_RNA) where: Base-Base interactions energy: -133.574 where: short stacking energy: -60.533 Base-Backbone interact. energy: -0.215 local terms energy: -71.148033 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -17.529 flat angles P-C4'-P energy: -12.462 tors. eta vs tors. theta energy: -12.773 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: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -219.149695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.149695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.149695 (E_RNA) where: Base-Base interactions energy: -148.472 where: short stacking energy: -69.417 Base-Backbone interact. energy: -0.003 local terms energy: -70.673934 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -10.761 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -20.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -204.648012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.648012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.648012 (E_RNA) where: Base-Base interactions energy: -141.907 where: short stacking energy: -56.707 Base-Backbone interact. energy: 0.143 local terms energy: -62.884882 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -12.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -113.441752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.441752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.441752 (E_RNA) where: Base-Base interactions energy: -57.306 where: short stacking energy: -38.762 Base-Backbone interact. energy: -0.130 local terms energy: -56.005877 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -17.009 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -5.834 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: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -281.583039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.583039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.583039 (E_RNA) where: Base-Base interactions energy: -204.491 where: short stacking energy: -83.475 Base-Backbone interact. energy: -0.204 local terms energy: -76.888755 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -17.722 flat angles P-C4'-P energy: -11.696 tors. eta vs tors. theta energy: -18.157 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: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -283.823459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.823459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.823459 (E_RNA) where: Base-Base interactions energy: -203.315 where: short stacking energy: -92.809 Base-Backbone interact. energy: -0.098 local terms energy: -80.410191 where: bonds (distance) C4'-P energy: -16.215 bonds (distance) P-C4' energy: -14.609 flat angles C4'-P-C4' energy: -15.355 flat angles P-C4'-P energy: -12.484 tors. eta vs tors. theta energy: -21.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -274.754535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.754535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.754535 (E_RNA) where: Base-Base interactions energy: -188.756 where: short stacking energy: -85.241 Base-Backbone interact. energy: -0.868 local terms energy: -85.130674 where: bonds (distance) C4'-P energy: -17.689 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -18.387 flat angles P-C4'-P energy: -15.857 tors. eta vs tors. theta energy: -16.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -266.203095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.203095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.203095 (E_RNA) where: Base-Base interactions energy: -189.681 where: short stacking energy: -80.705 Base-Backbone interact. energy: -0.324 local terms energy: -76.197853 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -16.314 flat angles C4'-P-C4' energy: -15.435 flat angles P-C4'-P energy: -11.899 tors. eta vs tors. theta energy: -19.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -262.958788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.958788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.958788 (E_RNA) where: Base-Base interactions energy: -189.329 where: short stacking energy: -79.651 Base-Backbone interact. energy: 0.100 local terms energy: -73.729330 where: bonds (distance) C4'-P energy: -14.294 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -18.564 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -20.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -262.483269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.483269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.483269 (E_RNA) where: Base-Base interactions energy: -195.153 where: short stacking energy: -83.332 Base-Backbone interact. energy: -0.217 local terms energy: -67.113796 where: bonds (distance) C4'-P energy: -12.407 bonds (distance) P-C4' energy: -8.519 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -13.736 tors. eta vs tors. theta energy: -17.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -216.472900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.472900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.472900 (E_RNA) where: Base-Base interactions energy: -144.482 where: short stacking energy: -69.381 Base-Backbone interact. energy: -0.220 local terms energy: -71.771331 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -13.014 tors. eta vs tors. theta energy: -16.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -205.988597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.988597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.988597 (E_RNA) where: Base-Base interactions energy: -138.237 where: short stacking energy: -65.265 Base-Backbone interact. energy: -0.162 local terms energy: -67.589582 where: bonds (distance) C4'-P energy: -16.584 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -12.145 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: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -213.930068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.930068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.930068 (E_RNA) where: Base-Base interactions energy: -139.156 where: short stacking energy: -63.285 Base-Backbone interact. energy: -0.739 local terms energy: -74.035633 where: bonds (distance) C4'-P energy: -15.479 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -15.676 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -13.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -94.363395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.363395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.363395 (E_RNA) where: Base-Base interactions energy: -52.696 where: short stacking energy: -31.406 Base-Backbone interact. energy: -0.716 local terms energy: -40.951339 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -13.263 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: 4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -290.048910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.048910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.048910 (E_RNA) where: Base-Base interactions energy: -205.500 where: short stacking energy: -83.714 Base-Backbone interact. energy: -0.535 local terms energy: -84.014056 where: bonds (distance) C4'-P energy: -17.394 bonds (distance) P-C4' energy: -19.722 flat angles C4'-P-C4' energy: -17.540 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -22.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -282.389490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.389490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.389490 (E_RNA) where: Base-Base interactions energy: -202.974 where: short stacking energy: -86.173 Base-Backbone interact. energy: -0.098 local terms energy: -79.316987 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -17.386 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -10.127 tors. eta vs tors. theta energy: -19.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -275.339454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.339454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.339454 (E_RNA) where: Base-Base interactions energy: -198.155 where: short stacking energy: -83.242 Base-Backbone interact. energy: -0.084 local terms energy: -77.100158 where: bonds (distance) C4'-P energy: -15.420 bonds (distance) P-C4' energy: -17.188 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -11.036 tors. eta vs tors. theta energy: -18.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -277.947828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.947828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.947828 (E_RNA) where: Base-Base interactions energy: -199.566 where: short stacking energy: -77.620 Base-Backbone interact. energy: -0.723 local terms energy: -77.658208 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -17.715 flat angles P-C4'-P energy: -11.614 tors. eta vs tors. theta energy: -18.312 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: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -268.635440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.635440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.635440 (E_RNA) where: Base-Base interactions energy: -189.718 where: short stacking energy: -77.581 Base-Backbone interact. energy: 0.588 local terms energy: -79.505668 where: bonds (distance) C4'-P energy: -15.387 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -13.699 tors. eta vs tors. theta energy: -18.397 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: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -264.677510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.677510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.677510 (E_RNA) where: Base-Base interactions energy: -194.848 where: short stacking energy: -83.854 Base-Backbone interact. energy: -0.592 local terms energy: -69.237581 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -16.412 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -17.203 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: 435 Temperature: 1.200000 Total energy: -228.667443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.667443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.667443 (E_RNA) where: Base-Base interactions energy: -152.484 where: short stacking energy: -76.879 Base-Backbone interact. energy: 1.071 local terms energy: -77.254547 where: bonds (distance) C4'-P energy: -18.034 bonds (distance) P-C4' energy: -11.137 flat angles C4'-P-C4' energy: -18.085 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -17.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -208.504973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.504973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.504973 (E_RNA) where: Base-Base interactions energy: -141.223 where: short stacking energy: -73.627 Base-Backbone interact. energy: -0.119 local terms energy: -67.162539 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -16.911 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: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -198.778156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.778156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.778156 (E_RNA) where: Base-Base interactions energy: -135.760 where: short stacking energy: -63.855 Base-Backbone interact. energy: -1.261 local terms energy: -61.757481 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -9.577 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -12.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -127.492692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.492692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.492692 (E_RNA) where: Base-Base interactions energy: -65.863 where: short stacking energy: -54.190 Base-Backbone interact. energy: -0.264 local terms energy: -61.366246 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -281.998879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.998879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.998879 (E_RNA) where: Base-Base interactions energy: -194.906 where: short stacking energy: -87.447 Base-Backbone interact. energy: -2.173 local terms energy: -84.920393 where: bonds (distance) C4'-P energy: -14.217 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -18.875 flat angles P-C4'-P energy: -15.184 tors. eta vs tors. theta energy: -20.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -281.748959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.748959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.748959 (E_RNA) where: Base-Base interactions energy: -199.902 where: short stacking energy: -81.147 Base-Backbone interact. energy: -0.229 local terms energy: -81.618687 where: bonds (distance) C4'-P energy: -19.065 bonds (distance) P-C4' energy: -14.756 flat angles C4'-P-C4' energy: -17.168 flat angles P-C4'-P energy: -8.578 tors. eta vs tors. theta energy: -22.052 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: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -273.699944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.699944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.699944 (E_RNA) where: Base-Base interactions energy: -194.782 where: short stacking energy: -78.550 Base-Backbone interact. energy: -0.109 local terms energy: -78.808875 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -18.820 flat angles P-C4'-P energy: -12.803 tors. eta vs tors. theta energy: -18.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -270.957691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.957691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.957691 (E_RNA) where: Base-Base interactions energy: -195.406 where: short stacking energy: -82.289 Base-Backbone interact. energy: -0.411 local terms energy: -75.141237 where: bonds (distance) C4'-P energy: -16.537 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -16.676 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -258.332250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.332250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.332250 (E_RNA) where: Base-Base interactions energy: -185.034 where: short stacking energy: -74.304 Base-Backbone interact. energy: -0.059 local terms energy: -73.239134 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -13.812 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -12.021 tors. eta vs tors. theta energy: -14.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -273.030003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.030003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.030003 (E_RNA) where: Base-Base interactions energy: -195.473 where: short stacking energy: -83.709 Base-Backbone interact. energy: 2.878 local terms energy: -80.434275 where: bonds (distance) C4'-P energy: -14.999 bonds (distance) P-C4' energy: -16.801 flat angles C4'-P-C4' energy: -14.503 flat angles P-C4'-P energy: -13.649 tors. eta vs tors. theta energy: -20.482 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: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -215.508616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.508616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.508616 (E_RNA) where: Base-Base interactions energy: -137.407 where: short stacking energy: -64.773 Base-Backbone interact. energy: -0.420 local terms energy: -77.681974 where: bonds (distance) C4'-P energy: -16.672 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -17.355 flat angles P-C4'-P energy: -14.626 tors. eta vs tors. theta energy: -16.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -204.646672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.646672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.646672 (E_RNA) where: Base-Base interactions energy: -129.713 where: short stacking energy: -59.051 Base-Backbone interact. energy: -0.005 local terms energy: -74.928503 where: bonds (distance) C4'-P energy: -16.695 bonds (distance) P-C4' energy: -17.265 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -198.759721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.759721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.759721 (E_RNA) where: Base-Base interactions energy: -135.115 where: short stacking energy: -59.436 Base-Backbone interact. energy: -0.398 local terms energy: -63.247060 where: bonds (distance) C4'-P energy: -10.030 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -16.167 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -11.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -88.489228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.489228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.489228 (E_RNA) where: Base-Base interactions energy: -37.061 where: short stacking energy: -36.350 Base-Backbone interact. energy: -0.223 local terms energy: -51.206066 where: bonds (distance) C4'-P energy: -14.059 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -283.418196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.418196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.418196 (E_RNA) where: Base-Base interactions energy: -192.794 where: short stacking energy: -77.485 Base-Backbone interact. energy: -0.995 local terms energy: -89.628952 where: bonds (distance) C4'-P energy: -19.225 bonds (distance) P-C4' energy: -17.945 flat angles C4'-P-C4' energy: -18.832 flat angles P-C4'-P energy: -15.071 tors. eta vs tors. theta energy: -18.557 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: 7 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -288.521508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.521508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.521508 (E_RNA) where: Base-Base interactions energy: -201.460 where: short stacking energy: -82.221 Base-Backbone interact. energy: -0.245 local terms energy: -86.816536 where: bonds (distance) C4'-P energy: -17.831 bonds (distance) P-C4' energy: -17.737 flat angles C4'-P-C4' energy: -19.722 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -20.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -278.150392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.150392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.150392 (E_RNA) where: Base-Base interactions energy: -193.502 where: short stacking energy: -81.505 Base-Backbone interact. energy: -0.471 local terms energy: -84.177077 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -16.897 flat angles C4'-P-C4' energy: -19.473 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -22.273 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: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -270.970543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.970543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.970543 (E_RNA) where: Base-Base interactions energy: -190.965 where: short stacking energy: -80.879 Base-Backbone interact. energy: -0.361 local terms energy: -79.644461 where: bonds (distance) C4'-P energy: -15.860 bonds (distance) P-C4' energy: -16.197 flat angles C4'-P-C4' energy: -17.725 flat angles P-C4'-P energy: -12.294 tors. eta vs tors. theta energy: -17.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -270.001555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.001555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.001555 (E_RNA) where: Base-Base interactions energy: -190.374 where: short stacking energy: -74.293 Base-Backbone interact. energy: -0.142 local terms energy: -79.485075 where: bonds (distance) C4'-P energy: -17.722 bonds (distance) P-C4' energy: -16.222 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -18.680 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: 6 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -265.021626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.021626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.021626 (E_RNA) where: Base-Base interactions energy: -196.980 where: short stacking energy: -84.619 Base-Backbone interact. energy: 0.489 local terms energy: -68.530422 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -17.687 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -19.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -215.386410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.386410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.386410 (E_RNA) where: Base-Base interactions energy: -149.687 where: short stacking energy: -75.407 Base-Backbone interact. energy: -0.010 local terms energy: -65.689690 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -18.236 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: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -212.582799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.582799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.582799 (E_RNA) where: Base-Base interactions energy: -141.975 where: short stacking energy: -50.547 Base-Backbone interact. energy: -0.973 local terms energy: -69.635360 where: bonds (distance) C4'-P energy: -16.826 bonds (distance) P-C4' energy: -19.764 flat angles C4'-P-C4' energy: -17.180 flat angles P-C4'-P energy: -7.439 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: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -206.488023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.488023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.488023 (E_RNA) where: Base-Base interactions energy: -142.729 where: short stacking energy: -67.759 Base-Backbone interact. energy: -0.269 local terms energy: -63.490689 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -11.960 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -13.706 tors. eta vs tors. theta energy: -13.005 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: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -91.656031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.656031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.656031 (E_RNA) where: Base-Base interactions energy: -47.107 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.252 local terms energy: -44.296733 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -1.542 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: 1, replica: 7 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -285.730679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.730679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.730679 (E_RNA) where: Base-Base interactions energy: -207.714 where: short stacking energy: -86.669 Base-Backbone interact. energy: -0.101 local terms energy: -77.915711 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -17.524 flat angles P-C4'-P energy: -11.091 tors. eta vs tors. theta energy: -19.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -276.147189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.147189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.147189 (E_RNA) where: Base-Base interactions energy: -196.472 where: short stacking energy: -87.119 Base-Backbone interact. energy: -0.157 local terms energy: -79.518553 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -17.318 flat angles C4'-P-C4' energy: -19.042 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -19.139 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: 3, replica: 2 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -277.821136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.821136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.821136 (E_RNA) where: Base-Base interactions energy: -203.636 where: short stacking energy: -80.079 Base-Backbone interact. energy: -0.354 local terms energy: -73.831634 where: bonds (distance) C4'-P energy: -17.249 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -16.732 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -15.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -272.371946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.371946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.371946 (E_RNA) where: Base-Base interactions energy: -192.688 where: short stacking energy: -74.999 Base-Backbone interact. energy: 0.129 local terms energy: -79.812924 where: bonds (distance) C4'-P energy: -15.790 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -16.961 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -22.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -272.048511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.048511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.048511 (E_RNA) where: Base-Base interactions energy: -193.193 where: short stacking energy: -74.442 Base-Backbone interact. energy: 0.242 local terms energy: -79.097431 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -18.866 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -14.486 tors. eta vs tors. theta energy: -18.612 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: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -266.096555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.096555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.096555 (E_RNA) where: Base-Base interactions energy: -190.794 where: short stacking energy: -75.355 Base-Backbone interact. energy: 2.945 local terms energy: -78.247989 where: bonds (distance) C4'-P energy: -17.655 bonds (distance) P-C4' energy: -16.014 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -225.893075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.893075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.893075 (E_RNA) where: Base-Base interactions energy: -154.320 where: short stacking energy: -69.540 Base-Backbone interact. energy: -0.077 local terms energy: -71.495309 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -12.072 flat angles P-C4'-P energy: -11.015 tors. eta vs tors. theta energy: -19.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -205.262781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.262781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.262781 (E_RNA) where: Base-Base interactions energy: -144.299 where: short stacking energy: -62.121 Base-Backbone interact. energy: -0.026 local terms energy: -60.937726 where: bonds (distance) C4'-P energy: -16.932 bonds (distance) P-C4' energy: -18.203 flat angles C4'-P-C4' energy: -10.235 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -8.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -198.073042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.073042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.073042 (E_RNA) where: Base-Base interactions energy: -125.687 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.097 local terms energy: -72.289085 where: bonds (distance) C4'-P energy: -19.445 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -18.145 flat angles P-C4'-P energy: -12.612 tors. eta vs tors. theta energy: -10.471 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: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -95.514908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.514908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.514908 (E_RNA) where: Base-Base interactions energy: -46.424 where: short stacking energy: -21.538 Base-Backbone interact. energy: -0.466 local terms energy: -48.625026 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -10.137 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) ================================== temp. level: 1, replica: 7 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -288.939109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.939109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.939109 (E_RNA) where: Base-Base interactions energy: -204.577 where: short stacking energy: -84.644 Base-Backbone interact. energy: -0.162 local terms energy: -84.200486 where: bonds (distance) C4'-P energy: -17.673 bonds (distance) P-C4' energy: -17.018 flat angles C4'-P-C4' energy: -16.919 flat angles P-C4'-P energy: -11.797 tors. eta vs tors. theta energy: -20.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -277.487747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.487747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.487747 (E_RNA) where: Base-Base interactions energy: -194.137 where: short stacking energy: -82.315 Base-Backbone interact. energy: -0.147 local terms energy: -83.204401 where: bonds (distance) C4'-P energy: -18.237 bonds (distance) P-C4' energy: -18.544 flat angles C4'-P-C4' energy: -18.464 flat angles P-C4'-P energy: -6.461 tors. eta vs tors. theta energy: -21.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -284.234716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.234716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.234716 (E_RNA) where: Base-Base interactions energy: -199.046 where: short stacking energy: -86.175 Base-Backbone interact. energy: -0.137 local terms energy: -85.050857 where: bonds (distance) C4'-P energy: -19.519 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -17.662 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -24.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -278.101764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.101764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.101764 (E_RNA) where: Base-Base interactions energy: -194.688 where: short stacking energy: -82.517 Base-Backbone interact. energy: -1.664 local terms energy: -81.749729 where: bonds (distance) C4'-P energy: -17.408 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -21.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -267.572018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.572018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.572018 (E_RNA) where: Base-Base interactions energy: -194.789 where: short stacking energy: -81.971 Base-Backbone interact. energy: -0.367 local terms energy: -72.415739 where: bonds (distance) C4'-P energy: -16.658 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -16.840 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -19.949 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: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -250.727600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.727600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.727600 (E_RNA) where: Base-Base interactions energy: -176.512 where: short stacking energy: -80.790 Base-Backbone interact. energy: -0.259 local terms energy: -73.956875 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -15.806 flat angles P-C4'-P energy: -13.217 tors. eta vs tors. theta energy: -17.189 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: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -217.543582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.543582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.543582 (E_RNA) where: Base-Base interactions energy: -149.849 where: short stacking energy: -71.295 Base-Backbone interact. energy: -0.230 local terms energy: -67.464655 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -14.093 flat angles C4'-P-C4' energy: -17.523 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -14.044 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: 439 Temperature: 1.250000 Total energy: -197.198901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.198901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.198901 (E_RNA) where: Base-Base interactions energy: -123.122 where: short stacking energy: -59.120 Base-Backbone interact. energy: -0.539 local terms energy: -73.538547 where: bonds (distance) C4'-P energy: -16.003 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -17.022 flat angles P-C4'-P energy: -11.904 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -187.889472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.889472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.889472 (E_RNA) where: Base-Base interactions energy: -129.492 where: short stacking energy: -60.783 Base-Backbone interact. energy: -0.080 local terms energy: -58.317524 where: bonds (distance) C4'-P energy: -10.666 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -11.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -91.485122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.485122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.485122 (E_RNA) where: Base-Base interactions energy: -44.524 where: short stacking energy: -27.863 Base-Backbone interact. energy: -0.763 local terms energy: -46.197966 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -9.839 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: 1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -284.690895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.690895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.690895 (E_RNA) where: Base-Base interactions energy: -200.708 where: short stacking energy: -80.281 Base-Backbone interact. energy: -1.245 local terms energy: -82.738341 where: bonds (distance) C4'-P energy: -18.227 bonds (distance) P-C4' energy: -18.449 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -22.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -276.664842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.664842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.664842 (E_RNA) where: Base-Base interactions energy: -194.439 where: short stacking energy: -82.345 Base-Backbone interact. energy: -0.176 local terms energy: -82.049916 where: bonds (distance) C4'-P energy: -16.851 bonds (distance) P-C4' energy: -17.837 flat angles C4'-P-C4' energy: -18.101 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -20.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -281.085356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.085356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.085356 (E_RNA) where: Base-Base interactions energy: -204.449 where: short stacking energy: -89.863 Base-Backbone interact. energy: -0.101 local terms energy: -76.535042 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -18.883 flat angles P-C4'-P energy: -8.734 tors. eta vs tors. theta energy: -20.228 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: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -271.771913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.771913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.771913 (E_RNA) where: Base-Base interactions energy: -188.687 where: short stacking energy: -80.012 Base-Backbone interact. energy: -0.582 local terms energy: -82.502619 where: bonds (distance) C4'-P energy: -15.879 bonds (distance) P-C4' energy: -17.547 flat angles C4'-P-C4' energy: -16.402 flat angles P-C4'-P energy: -12.525 tors. eta vs tors. theta energy: -20.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -246.111383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -246.111383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -246.111383 (E_RNA) where: Base-Base interactions energy: -174.091 where: short stacking energy: -77.035 Base-Backbone interact. energy: -0.336 local terms energy: -71.684659 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -16.201 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -18.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -268.953466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.953466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.953466 (E_RNA) where: Base-Base interactions energy: -197.869 where: short stacking energy: -84.431 Base-Backbone interact. energy: -0.100 local terms energy: -70.984422 where: bonds (distance) C4'-P energy: -7.921 bonds (distance) P-C4' energy: -15.655 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -21.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -207.389539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.389539 (E_RNA) where: Base-Base interactions energy: -138.881 where: short stacking energy: -67.181 Base-Backbone interact. energy: -0.421 local terms energy: -68.087215 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -14.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -208.012124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.012124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.012124 (E_RNA) where: Base-Base interactions energy: -145.467 where: short stacking energy: -69.961 Base-Backbone interact. energy: -0.021 local terms energy: -62.524071 where: bonds (distance) C4'-P energy: -8.601 bonds (distance) P-C4' energy: -15.419 flat angles C4'-P-C4' energy: -16.601 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -194.529692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.529692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.529692 (E_RNA) where: Base-Base interactions energy: -132.345 where: short stacking energy: -56.678 Base-Backbone interact. energy: -0.307 local terms energy: -61.877027 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -14.340 flat angles C4'-P-C4' energy: -17.695 flat angles P-C4'-P energy: -12.854 tors. eta vs tors. theta energy: -9.322 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: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -170.231731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.231731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.231731 (E_RNA) where: Base-Base interactions energy: -108.744 where: short stacking energy: -56.447 Base-Backbone interact. energy: -0.062 local terms energy: -61.425122 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -9.075 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: 1, replica: 7 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -276.082425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.082425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.082425 (E_RNA) where: Base-Base interactions energy: -194.835 where: short stacking energy: -81.659 Base-Backbone interact. energy: -0.211 local terms energy: -81.036480 where: bonds (distance) C4'-P energy: -17.421 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -18.602 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -19.538 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: 441 Temperature: 0.950000 Total energy: -284.769620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.769620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.769620 (E_RNA) where: Base-Base interactions energy: -200.365 where: short stacking energy: -86.739 Base-Backbone interact. energy: 0.374 local terms energy: -84.778438 where: bonds (distance) C4'-P energy: -16.801 bonds (distance) P-C4' energy: -18.424 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -12.853 tors. eta vs tors. theta energy: -20.262 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: 3, replica: 2 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -280.655637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.655637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.655637 (E_RNA) where: Base-Base interactions energy: -198.793 where: short stacking energy: -81.224 Base-Backbone interact. energy: -0.091 local terms energy: -81.770954 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -15.557 flat angles C4'-P-C4' energy: -20.043 flat angles P-C4'-P energy: -13.532 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -253.142153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -253.142153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -253.142153 (E_RNA) where: Base-Base interactions energy: -178.758 where: short stacking energy: -67.582 Base-Backbone interact. energy: -0.129 local terms energy: -74.255868 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -16.497 flat angles P-C4'-P energy: -12.651 tors. eta vs tors. theta energy: -12.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -267.510009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.510009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.510009 (E_RNA) where: Base-Base interactions energy: -195.209 where: short stacking energy: -79.065 Base-Backbone interact. energy: 1.631 local terms energy: -73.931098 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -15.456 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -20.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -261.589821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.589821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.589821 (E_RNA) where: Base-Base interactions energy: -181.982 where: short stacking energy: -73.609 Base-Backbone interact. energy: -0.757 local terms energy: -78.851608 where: bonds (distance) C4'-P energy: -15.076 bonds (distance) P-C4' energy: -18.178 flat angles C4'-P-C4' energy: -18.300 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -16.905 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: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -200.584246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.584246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.584246 (E_RNA) where: Base-Base interactions energy: -140.413 where: short stacking energy: -60.160 Base-Backbone interact. energy: -0.075 local terms energy: -60.096286 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -11.779 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: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -196.957604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.957604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.957604 (E_RNA) where: Base-Base interactions energy: -131.857 where: short stacking energy: -62.003 Base-Backbone interact. energy: -0.369 local terms energy: -64.731868 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -9.975 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -15.715 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: 1 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -207.010530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.010530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.010530 (E_RNA) where: Base-Base interactions energy: -136.200 where: short stacking energy: -65.575 Base-Backbone interact. energy: -0.011 local terms energy: -70.800023 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -17.542 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -18.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -142.775889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.775889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.775889 (E_RNA) where: Base-Base interactions energy: -90.794 where: short stacking energy: -43.127 Base-Backbone interact. energy: 0.758 local terms energy: -52.739935 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -277.962841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.962841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.962841 (E_RNA) where: Base-Base interactions energy: -198.321 where: short stacking energy: -75.568 Base-Backbone interact. energy: -0.109 local terms energy: -79.532468 where: bonds (distance) C4'-P energy: -17.466 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -16.412 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: -20.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -279.751915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.751915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.751915 (E_RNA) where: Base-Base interactions energy: -200.404 where: short stacking energy: -80.204 Base-Backbone interact. energy: -0.097 local terms energy: -79.250695 where: bonds (distance) C4'-P energy: -16.664 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -19.933 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -19.431 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: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -273.373928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.373928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.373928 (E_RNA) where: Base-Base interactions energy: -192.615 where: short stacking energy: -84.830 Base-Backbone interact. energy: -0.126 local terms energy: -80.633520 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -17.184 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -19.294 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: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -268.470590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.470590 (E_RNA) where: Base-Base interactions energy: -196.343 where: short stacking energy: -81.723 Base-Backbone interact. energy: -0.041 local terms energy: -72.086630 where: bonds (distance) C4'-P energy: -15.666 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -16.648 flat angles P-C4'-P energy: -11.888 tors. eta vs tors. theta energy: -15.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -266.511351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.511351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.511351 (E_RNA) where: Base-Base interactions energy: -192.887 where: short stacking energy: -82.706 Base-Backbone interact. energy: -0.017 local terms energy: -73.607592 where: bonds (distance) C4'-P energy: -17.101 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -18.233 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: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -272.582822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.582822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.582822 (E_RNA) where: Base-Base interactions energy: -191.055 where: short stacking energy: -81.757 Base-Backbone interact. energy: -1.059 local terms energy: -80.468992 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -16.679 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -22.692 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: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -209.015627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.015627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.015627 (E_RNA) where: Base-Base interactions energy: -145.708 where: short stacking energy: -67.616 Base-Backbone interact. energy: -1.206 local terms energy: -62.101834 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -1.440 tors. eta vs tors. theta energy: -18.104 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: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -197.724386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.724386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.724386 (E_RNA) where: Base-Base interactions energy: -130.562 where: short stacking energy: -56.468 Base-Backbone interact. energy: -0.002 local terms energy: -67.160184 where: bonds (distance) C4'-P energy: -12.136 bonds (distance) P-C4' energy: -14.809 flat angles C4'-P-C4' energy: -13.206 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -16.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -202.213535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.213535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.213535 (E_RNA) where: Base-Base interactions energy: -133.922 where: short stacking energy: -61.289 Base-Backbone interact. energy: -0.021 local terms energy: -68.270131 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -15.615 flat angles P-C4'-P energy: -12.658 tors. eta vs tors. theta energy: -13.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -166.006914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.006914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.006914 (E_RNA) where: Base-Base interactions energy: -114.145 where: short stacking energy: -57.044 Base-Backbone interact. energy: -0.058 local terms energy: -51.803330 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -7.171 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: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -285.376268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.376268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.376268 (E_RNA) where: Base-Base interactions energy: -202.124 where: short stacking energy: -81.105 Base-Backbone interact. energy: -1.673 local terms energy: -81.579457 where: bonds (distance) C4'-P energy: -16.498 bonds (distance) P-C4' energy: -17.247 flat angles C4'-P-C4' energy: -18.373 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -19.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -278.116194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.116194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.116194 (E_RNA) where: Base-Base interactions energy: -201.845 where: short stacking energy: -84.780 Base-Backbone interact. energy: -0.243 local terms energy: -76.028375 where: bonds (distance) C4'-P energy: -17.152 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -15.879 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -18.320 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: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -274.495671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.495671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.495671 (E_RNA) where: Base-Base interactions energy: -194.187 where: short stacking energy: -89.826 Base-Backbone interact. energy: -0.053 local terms energy: -80.256073 where: bonds (distance) C4'-P energy: -15.751 bonds (distance) P-C4' energy: -15.354 flat angles C4'-P-C4' energy: -17.730 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -19.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -270.510281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.510281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.510281 (E_RNA) where: Base-Base interactions energy: -192.308 where: short stacking energy: -80.844 Base-Backbone interact. energy: -0.095 local terms energy: -78.107509 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -18.122 flat angles C4'-P-C4' energy: -18.317 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -16.572 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: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -269.429974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.429974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.429974 (E_RNA) where: Base-Base interactions energy: -196.593 where: short stacking energy: -87.575 Base-Backbone interact. energy: -0.152 local terms energy: -72.684535 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -16.315 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -20.936 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: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -256.250133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.250133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.250133 (E_RNA) where: Base-Base interactions energy: -183.651 where: short stacking energy: -75.750 Base-Backbone interact. energy: -0.800 local terms energy: -71.799753 where: bonds (distance) C4'-P energy: -17.127 bonds (distance) P-C4' energy: -17.156 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -13.567 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: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -225.473578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.473578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.473578 (E_RNA) where: Base-Base interactions energy: -149.768 where: short stacking energy: -74.656 Base-Backbone interact. energy: -0.003 local terms energy: -75.703004 where: bonds (distance) C4'-P energy: -17.849 bonds (distance) P-C4' energy: -15.331 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -18.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -214.313024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.313024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.313024 (E_RNA) where: Base-Base interactions energy: -141.504 where: short stacking energy: -67.209 Base-Backbone interact. energy: -0.062 local terms energy: -72.747388 where: bonds (distance) C4'-P energy: -12.298 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -17.884 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -16.404 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: 443 Temperature: 1.300000 Total energy: -195.216268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.216268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.216268 (E_RNA) where: Base-Base interactions energy: -124.725 where: short stacking energy: -61.407 Base-Backbone interact. energy: 0.531 local terms energy: -71.022471 where: bonds (distance) C4'-P energy: -17.229 bonds (distance) P-C4' energy: -12.571 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -12.409 tors. eta vs tors. theta energy: -13.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -165.026369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.026369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.026369 (E_RNA) where: Base-Base interactions energy: -111.730 where: short stacking energy: -49.655 Base-Backbone interact. energy: -0.087 local terms energy: -53.209764 where: bonds (distance) C4'-P energy: -9.861 bonds (distance) P-C4' energy: -16.616 flat angles C4'-P-C4' energy: -11.855 flat angles P-C4'-P energy: -7.059 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: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -290.519440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.519440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.519440 (E_RNA) where: Base-Base interactions energy: -201.539 where: short stacking energy: -80.017 Base-Backbone interact. energy: -0.407 local terms energy: -88.573491 where: bonds (distance) C4'-P energy: -18.211 bonds (distance) P-C4' energy: -18.052 flat angles C4'-P-C4' energy: -20.603 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -19.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -278.668169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.668169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.668169 (E_RNA) where: Base-Base interactions energy: -201.609 where: short stacking energy: -85.835 Base-Backbone interact. energy: -0.224 local terms energy: -76.834878 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -16.592 flat angles P-C4'-P energy: -11.578 tors. eta vs tors. theta energy: -19.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -271.179944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.179944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.179944 (E_RNA) where: Base-Base interactions energy: -196.906 where: short stacking energy: -81.760 Base-Backbone interact. energy: -0.350 local terms energy: -73.923677 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -14.944 flat angles C4'-P-C4' energy: -15.200 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -22.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -280.441309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.441309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.441309 (E_RNA) where: Base-Base interactions energy: -197.785 where: short stacking energy: -79.085 Base-Backbone interact. energy: -1.915 local terms energy: -80.740618 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -18.517 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -23.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -261.253029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.253029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.253029 (E_RNA) where: Base-Base interactions energy: -187.684 where: short stacking energy: -81.153 Base-Backbone interact. energy: -0.894 local terms energy: -72.675000 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -18.046 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -265.501253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.501253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.501253 (E_RNA) where: Base-Base interactions energy: -178.802 where: short stacking energy: -74.519 Base-Backbone interact. energy: -0.102 local terms energy: -86.597147 where: bonds (distance) C4'-P energy: -18.248 bonds (distance) P-C4' energy: -15.207 flat angles C4'-P-C4' energy: -19.677 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -23.400 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: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -234.400917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.400917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.400917 (E_RNA) where: Base-Base interactions energy: -161.946 where: short stacking energy: -69.894 Base-Backbone interact. energy: -0.609 local terms energy: -71.845794 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -17.333 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -14.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -221.122690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.122690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.122690 (E_RNA) where: Base-Base interactions energy: -154.410 where: short stacking energy: -70.224 Base-Backbone interact. energy: -0.026 local terms energy: -66.686736 where: bonds (distance) C4'-P energy: -8.953 bonds (distance) P-C4' energy: -14.809 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -18.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -192.726164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.726164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.726164 (E_RNA) where: Base-Base interactions energy: -135.210 where: short stacking energy: -59.473 Base-Backbone interact. energy: 2.265 local terms energy: -59.781708 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -7.275 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -12.246 tors. eta vs tors. theta energy: -11.751 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: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -197.814733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.814733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.814733 (E_RNA) where: Base-Base interactions energy: -132.874 where: short stacking energy: -64.999 Base-Backbone interact. energy: -0.092 local terms energy: -64.848932 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -13.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -288.143206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.143206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.143206 (E_RNA) where: Base-Base interactions energy: -203.703 where: short stacking energy: -88.662 Base-Backbone interact. energy: 0.216 local terms energy: -84.656285 where: bonds (distance) C4'-P energy: -17.142 bonds (distance) P-C4' energy: -17.690 flat angles C4'-P-C4' energy: -18.376 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -20.100 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: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -279.925397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.925397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.925397 (E_RNA) where: Base-Base interactions energy: -204.415 where: short stacking energy: -84.604 Base-Backbone interact. energy: -0.271 local terms energy: -75.239794 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -14.073 flat angles C4'-P-C4' energy: -19.217 flat angles P-C4'-P energy: -10.720 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -284.345272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.345272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.345272 (E_RNA) where: Base-Base interactions energy: -201.749 where: short stacking energy: -84.890 Base-Backbone interact. energy: -0.727 local terms energy: -81.869245 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -18.781 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -11.775 tors. eta vs tors. theta energy: -19.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -272.586080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.586080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.586080 (E_RNA) where: Base-Base interactions energy: -195.220 where: short stacking energy: -88.079 Base-Backbone interact. energy: -0.028 local terms energy: -77.338466 where: bonds (distance) C4'-P energy: -17.211 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -16.836 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -19.931 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: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -275.578526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.578526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.578526 (E_RNA) where: Base-Base interactions energy: -203.986 where: short stacking energy: -80.556 Base-Backbone interact. energy: -0.753 local terms energy: -70.839290 where: bonds (distance) C4'-P energy: -9.216 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -18.210 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -18.427 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: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -273.441205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.441205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.441205 (E_RNA) where: Base-Base interactions energy: -194.743 where: short stacking energy: -78.663 Base-Backbone interact. energy: -0.048 local terms energy: -78.650866 where: bonds (distance) C4'-P energy: -17.446 bonds (distance) P-C4' energy: -15.711 flat angles C4'-P-C4' energy: -17.444 flat angles P-C4'-P energy: -11.922 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -213.359585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.359585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.359585 (E_RNA) where: Base-Base interactions energy: -147.999 where: short stacking energy: -63.317 Base-Backbone interact. energy: -0.400 local terms energy: -64.960409 where: bonds (distance) C4'-P energy: -10.320 bonds (distance) P-C4' energy: -14.319 flat angles C4'-P-C4' energy: -17.264 flat angles P-C4'-P energy: -11.015 tors. eta vs tors. theta energy: -12.042 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: 445 Temperature: 1.250000 Total energy: -196.122635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.122635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.122635 (E_RNA) where: Base-Base interactions energy: -141.759 where: short stacking energy: -63.921 Base-Backbone interact. energy: -0.133 local terms energy: -54.231269 where: bonds (distance) C4'-P energy: -14.534 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -10.608 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: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -204.840578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.840578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.840578 (E_RNA) where: Base-Base interactions energy: -142.066 where: short stacking energy: -61.107 Base-Backbone interact. energy: -0.009 local terms energy: -62.765699 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -13.897 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -17.487 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: 445 Temperature: 1.350000 Total energy: -207.007782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.007782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.007782 (E_RNA) where: Base-Base interactions energy: -132.531 where: short stacking energy: -59.694 Base-Backbone interact. energy: 0.353 local terms energy: -74.829314 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -19.568 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -14.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -292.972187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.972187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.972187 (E_RNA) where: Base-Base interactions energy: -205.596 where: short stacking energy: -79.414 Base-Backbone interact. energy: -0.652 local terms energy: -86.723621 where: bonds (distance) C4'-P energy: -17.991 bonds (distance) P-C4' energy: -19.936 flat angles C4'-P-C4' energy: -18.816 flat angles P-C4'-P energy: -14.519 tors. eta vs tors. theta energy: -15.462 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: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -284.237917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.237917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.237917 (E_RNA) where: Base-Base interactions energy: -205.188 where: short stacking energy: -87.501 Base-Backbone interact. energy: -0.089 local terms energy: -78.961222 where: bonds (distance) C4'-P energy: -15.268 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -16.695 flat angles P-C4'-P energy: -11.093 tors. eta vs tors. theta energy: -19.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -280.368576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.368576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.368576 (E_RNA) where: Base-Base interactions energy: -198.460 where: short stacking energy: -82.607 Base-Backbone interact. energy: -0.110 local terms energy: -81.797800 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -17.998 flat angles C4'-P-C4' energy: -18.591 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -17.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -275.087253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.087253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.087253 (E_RNA) where: Base-Base interactions energy: -196.238 where: short stacking energy: -82.005 Base-Backbone interact. energy: -0.039 local terms energy: -78.810255 where: bonds (distance) C4'-P energy: -17.432 bonds (distance) P-C4' energy: -18.075 flat angles C4'-P-C4' energy: -18.421 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -17.693 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: 10 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -272.199998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.199998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.199998 (E_RNA) where: Base-Base interactions energy: -188.938 where: short stacking energy: -84.149 Base-Backbone interact. energy: -0.153 local terms energy: -83.109112 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -19.682 flat angles C4'-P-C4' energy: -16.655 flat angles P-C4'-P energy: -14.128 tors. eta vs tors. theta energy: -18.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -266.035118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.035118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.035118 (E_RNA) where: Base-Base interactions energy: -188.230 where: short stacking energy: -82.398 Base-Backbone interact. energy: -1.773 local terms energy: -76.031632 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -13.977 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -12.941 tors. eta vs tors. theta energy: -22.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -201.839393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.839393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.839393 (E_RNA) where: Base-Base interactions energy: -138.623 where: short stacking energy: -62.916 Base-Backbone interact. energy: -0.082 local terms energy: -63.134367 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -10.790 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: 446 Temperature: 1.250000 Total energy: -216.789639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.789639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.789639 (E_RNA) where: Base-Base interactions energy: -143.037 where: short stacking energy: -73.542 Base-Backbone interact. energy: -0.019 local terms energy: -73.734407 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -19.853 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -20.499 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: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -213.565424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.565424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.565424 (E_RNA) where: Base-Base interactions energy: -142.798 where: short stacking energy: -65.326 Base-Backbone interact. energy: -0.039 local terms energy: -70.728606 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -16.405 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -13.864 tors. eta vs tors. theta energy: -12.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -202.949647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.949647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.949647 (E_RNA) where: Base-Base interactions energy: -142.885 where: short stacking energy: -71.785 Base-Backbone interact. energy: -0.012 local terms energy: -60.052451 where: bonds (distance) C4'-P energy: -11.939 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -16.571 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -13.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -281.383299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.383299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.383299 (E_RNA) where: Base-Base interactions energy: -198.645 where: short stacking energy: -82.731 Base-Backbone interact. energy: -0.776 local terms energy: -81.962878 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -19.200 flat angles C4'-P-C4' energy: -18.648 flat angles P-C4'-P energy: -13.883 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -281.289875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.289875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.289875 (E_RNA) where: Base-Base interactions energy: -195.544 where: short stacking energy: -83.488 Base-Backbone interact. energy: -0.244 local terms energy: -85.502124 where: bonds (distance) C4'-P energy: -15.558 bonds (distance) P-C4' energy: -18.891 flat angles C4'-P-C4' energy: -17.995 flat angles P-C4'-P energy: -14.197 tors. eta vs tors. theta energy: -18.861 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: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -284.950638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.950638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.950638 (E_RNA) where: Base-Base interactions energy: -203.525 where: short stacking energy: -87.113 Base-Backbone interact. energy: -0.199 local terms energy: -81.227219 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -18.418 flat angles C4'-P-C4' energy: -16.899 flat angles P-C4'-P energy: -13.086 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -271.006612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.006612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.006612 (E_RNA) where: Base-Base interactions energy: -193.268 where: short stacking energy: -70.923 Base-Backbone interact. energy: -1.005 local terms energy: -76.733638 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -14.208 flat angles C4'-P-C4' energy: -17.833 flat angles P-C4'-P energy: -14.198 tors. eta vs tors. theta energy: -17.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -275.034114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.034114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.034114 (E_RNA) where: Base-Base interactions energy: -201.922 where: short stacking energy: -85.471 Base-Backbone interact. energy: -0.110 local terms energy: -73.002070 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -14.133 flat angles C4'-P-C4' energy: -18.398 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -16.501 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: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -265.834995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.834995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.834995 (E_RNA) where: Base-Base interactions energy: -192.144 where: short stacking energy: -81.046 Base-Backbone interact. energy: -0.140 local terms energy: -73.550891 where: bonds (distance) C4'-P energy: -16.626 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -11.855 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: -19.880 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: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -212.657362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.657362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.657362 (E_RNA) where: Base-Base interactions energy: -138.590 where: short stacking energy: -68.402 Base-Backbone interact. energy: -0.004 local terms energy: -74.062658 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -16.024 flat angles C4'-P-C4' energy: -17.271 flat angles P-C4'-P energy: -14.226 tors. eta vs tors. theta energy: -15.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -206.358906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.358906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.358906 (E_RNA) where: Base-Base interactions energy: -139.833 where: short stacking energy: -73.756 Base-Backbone interact. energy: -0.026 local terms energy: -66.500063 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -19.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -205.007919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.007919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.007919 (E_RNA) where: Base-Base interactions energy: -135.625 where: short stacking energy: -56.940 Base-Backbone interact. energy: -0.149 local terms energy: -69.234127 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -13.818 tors. eta vs tors. theta energy: -11.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -198.630811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.630811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.630811 (E_RNA) where: Base-Base interactions energy: -130.047 where: short stacking energy: -55.701 Base-Backbone interact. energy: 0.708 local terms energy: -69.291584 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -18.200 flat angles C4'-P-C4' energy: -15.264 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -283.437973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.437973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.437973 (E_RNA) where: Base-Base interactions energy: -195.275 where: short stacking energy: -83.196 Base-Backbone interact. energy: -1.192 local terms energy: -86.971665 where: bonds (distance) C4'-P energy: -18.128 bonds (distance) P-C4' energy: -18.351 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -12.483 tors. eta vs tors. theta energy: -22.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -284.281314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.281314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.281314 (E_RNA) where: Base-Base interactions energy: -198.694 where: short stacking energy: -84.401 Base-Backbone interact. energy: -1.608 local terms energy: -83.979588 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -20.172 flat angles C4'-P-C4' energy: -17.993 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -20.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -274.783099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.783099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.783099 (E_RNA) where: Base-Base interactions energy: -199.122 where: short stacking energy: -79.707 Base-Backbone interact. energy: -0.548 local terms energy: -75.112996 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -15.031 flat angles C4'-P-C4' energy: -18.506 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: -17.235 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: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -263.394423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.394423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.394423 (E_RNA) where: Base-Base interactions energy: -194.526 where: short stacking energy: -78.298 Base-Backbone interact. energy: 0.329 local terms energy: -69.197885 where: bonds (distance) C4'-P energy: -16.800 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -18.994 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: 448 Temperature: 1.100000 Total energy: -270.250515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.250515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.250515 (E_RNA) where: Base-Base interactions energy: -193.469 where: short stacking energy: -81.690 Base-Backbone interact. energy: 1.354 local terms energy: -78.135221 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -15.856 flat angles C4'-P-C4' energy: -17.202 flat angles P-C4'-P energy: -13.646 tors. eta vs tors. theta energy: -18.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -257.958539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.958539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.958539 (E_RNA) where: Base-Base interactions energy: -180.073 where: short stacking energy: -70.961 Base-Backbone interact. energy: 0.489 local terms energy: -78.374141 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -19.271 flat angles C4'-P-C4' energy: -14.491 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -22.262 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: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -200.446121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.446121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.446121 (E_RNA) where: Base-Base interactions energy: -136.042 where: short stacking energy: -58.567 Base-Backbone interact. energy: -0.009 local terms energy: -64.395055 where: bonds (distance) C4'-P energy: -16.948 bonds (distance) P-C4' energy: -16.250 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -13.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -210.587738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.587738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.587738 (E_RNA) where: Base-Base interactions energy: -147.080 where: short stacking energy: -71.733 Base-Backbone interact. energy: -0.163 local terms energy: -63.344289 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -17.063 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -15.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -212.160008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.160008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.160008 (E_RNA) where: Base-Base interactions energy: -149.244 where: short stacking energy: -63.487 Base-Backbone interact. energy: -0.003 local terms energy: -62.912964 where: bonds (distance) C4'-P energy: -10.958 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -16.334 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -13.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -190.373379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.373379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.373379 (E_RNA) where: Base-Base interactions energy: -125.638 where: short stacking energy: -57.156 Base-Backbone interact. energy: -0.081 local terms energy: -64.654096 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -10.357 flat angles P-C4'-P energy: -10.817 tors. eta vs tors. theta energy: -14.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -278.912812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.912812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.912812 (E_RNA) where: Base-Base interactions energy: -195.674 where: short stacking energy: -82.005 Base-Backbone interact. energy: -0.636 local terms energy: -82.602042 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -19.252 flat angles C4'-P-C4' energy: -19.983 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -21.465 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: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -278.665417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.665417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.665417 (E_RNA) where: Base-Base interactions energy: -198.309 where: short stacking energy: -83.421 Base-Backbone interact. energy: -0.437 local terms energy: -79.918724 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -17.228 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -274.376167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.376167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.376167 (E_RNA) where: Base-Base interactions energy: -197.730 where: short stacking energy: -83.286 Base-Backbone interact. energy: -0.010 local terms energy: -76.636284 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -15.698 flat angles C4'-P-C4' energy: -16.346 flat angles P-C4'-P energy: -11.372 tors. eta vs tors. theta energy: -20.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -274.629088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.629088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.629088 (E_RNA) where: Base-Base interactions energy: -197.482 where: short stacking energy: -86.440 Base-Backbone interact. energy: 1.029 local terms energy: -78.175630 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -17.271 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -19.466 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: 5, replica: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -266.204875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.204875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.204875 (E_RNA) where: Base-Base interactions energy: -191.418 where: short stacking energy: -86.443 Base-Backbone interact. energy: -1.156 local terms energy: -73.630398 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -17.327 flat angles P-C4'-P energy: -11.077 tors. eta vs tors. theta energy: -18.530 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: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -263.298655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.298655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.298655 (E_RNA) where: Base-Base interactions energy: -191.515 where: short stacking energy: -78.391 Base-Backbone interact. energy: -0.261 local terms energy: -71.522573 where: bonds (distance) C4'-P energy: -17.450 bonds (distance) P-C4' energy: -10.862 flat angles C4'-P-C4' energy: -17.904 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -16.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -211.920167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.920167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.920167 (E_RNA) where: Base-Base interactions energy: -140.787 where: short stacking energy: -70.620 Base-Backbone interact. energy: -0.285 local terms energy: -70.847801 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -12.537 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -16.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -204.768374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.768374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.768374 (E_RNA) where: Base-Base interactions energy: -138.466 where: short stacking energy: -60.025 Base-Backbone interact. energy: 0.092 local terms energy: -66.394240 where: bonds (distance) C4'-P energy: -18.339 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -206.487499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.487499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.487499 (E_RNA) where: Base-Base interactions energy: -137.223 where: short stacking energy: -70.929 Base-Backbone interact. energy: -0.063 local terms energy: -69.201260 where: bonds (distance) C4'-P energy: -8.022 bonds (distance) P-C4' energy: -17.520 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -20.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -197.155741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.155741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.155741 (E_RNA) where: Base-Base interactions energy: -134.698 where: short stacking energy: -62.371 Base-Backbone interact. energy: 1.777 local terms energy: -64.234270 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -12.153 tors. eta vs tors. theta energy: -13.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -292.498325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.498325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.498325 (E_RNA) where: Base-Base interactions energy: -204.419 where: short stacking energy: -85.484 Base-Backbone interact. energy: -0.463 local terms energy: -87.615891 where: bonds (distance) C4'-P energy: -17.482 bonds (distance) P-C4' energy: -19.982 flat angles C4'-P-C4' energy: -17.504 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -20.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -277.106870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.106870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.106870 (E_RNA) where: Base-Base interactions energy: -194.670 where: short stacking energy: -81.411 Base-Backbone interact. energy: -0.590 local terms energy: -81.846897 where: bonds (distance) C4'-P energy: -17.044 bonds (distance) P-C4' energy: -17.004 flat angles C4'-P-C4' energy: -16.965 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -20.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -270.958410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.958410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.958410 (E_RNA) where: Base-Base interactions energy: -192.415 where: short stacking energy: -72.385 Base-Backbone interact. energy: 0.043 local terms energy: -78.586127 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -17.864 flat angles C4'-P-C4' energy: -17.950 flat angles P-C4'-P energy: -10.137 tors. eta vs tors. theta energy: -16.506 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: 450 Temperature: 1.050000 Total energy: -270.820097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.820097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.820097 (E_RNA) where: Base-Base interactions energy: -192.388 where: short stacking energy: -83.950 Base-Backbone interact. energy: 0.891 local terms energy: -79.322682 where: bonds (distance) C4'-P energy: -9.165 bonds (distance) P-C4' energy: -16.400 flat angles C4'-P-C4' energy: -21.059 flat angles P-C4'-P energy: -13.157 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -270.289735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.289735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.289735 (E_RNA) where: Base-Base interactions energy: -193.263 where: short stacking energy: -79.012 Base-Backbone interact. energy: -0.117 local terms energy: -76.909723 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -18.813 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -11.876 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -257.567921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.567921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.567921 (E_RNA) where: Base-Base interactions energy: -183.002 where: short stacking energy: -73.344 Base-Backbone interact. energy: -0.137 local terms energy: -74.429297 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -17.681 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -20.345 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: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -221.285762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.285762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.285762 (E_RNA) where: Base-Base interactions energy: -151.247 where: short stacking energy: -77.359 Base-Backbone interact. energy: -0.001 local terms energy: -70.037738 where: bonds (distance) C4'-P energy: -8.374 bonds (distance) P-C4' energy: -11.886 flat angles C4'-P-C4' energy: -16.527 flat angles P-C4'-P energy: -12.420 tors. eta vs tors. theta energy: -20.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -193.041721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.041721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.041721 (E_RNA) where: Base-Base interactions energy: -136.114 where: short stacking energy: -66.908 Base-Backbone interact. energy: -0.003 local terms energy: -56.923813 where: bonds (distance) C4'-P energy: -17.568 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -12.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -195.236036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.236036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.236036 (E_RNA) where: Base-Base interactions energy: -129.690 where: short stacking energy: -55.274 Base-Backbone interact. energy: -0.053 local terms energy: -65.493821 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -15.673 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -178.093357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.093357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.093357 (E_RNA) where: Base-Base interactions energy: -121.564 where: short stacking energy: -56.771 Base-Backbone interact. energy: -0.167 local terms energy: -56.362194 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -14.198 flat angles C4'-P-C4' energy: -13.721 flat angles P-C4'-P energy: -10.720 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: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -282.234447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.234447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.234447 (E_RNA) where: Base-Base interactions energy: -202.057 where: short stacking energy: -81.665 Base-Backbone interact. energy: -0.164 local terms energy: -80.013881 where: bonds (distance) C4'-P energy: -16.958 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -12.387 tors. eta vs tors. theta energy: -18.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -278.336237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.336237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.336237 (E_RNA) where: Base-Base interactions energy: -207.280 where: short stacking energy: -88.775 Base-Backbone interact. energy: 0.604 local terms energy: -71.660497 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -19.186 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: 10 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -277.537691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.537691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.537691 (E_RNA) where: Base-Base interactions energy: -202.843 where: short stacking energy: -80.757 Base-Backbone interact. energy: 0.365 local terms energy: -75.059670 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -16.737 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -271.914690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.914690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.914690 (E_RNA) where: Base-Base interactions energy: -191.846 where: short stacking energy: -83.596 Base-Backbone interact. energy: -0.102 local terms energy: -79.967112 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -17.508 flat angles C4'-P-C4' energy: -16.652 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -17.558 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: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -251.542782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.542782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.542782 (E_RNA) where: Base-Base interactions energy: -176.255 where: short stacking energy: -73.046 Base-Backbone interact. energy: -0.094 local terms energy: -75.193591 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -19.976 flat angles C4'-P-C4' energy: -16.298 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -261.152700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.152700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.152700 (E_RNA) where: Base-Base interactions energy: -194.377 where: short stacking energy: -81.585 Base-Backbone interact. energy: -0.140 local terms energy: -66.636281 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -18.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -217.502592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.502592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.502592 (E_RNA) where: Base-Base interactions energy: -145.884 where: short stacking energy: -60.974 Base-Backbone interact. energy: 1.702 local terms energy: -73.320918 where: bonds (distance) C4'-P energy: -17.102 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -10.505 tors. eta vs tors. theta energy: -14.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -196.498188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.498188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.498188 (E_RNA) where: Base-Base interactions energy: -130.866 where: short stacking energy: -56.174 Base-Backbone interact. energy: -0.084 local terms energy: -65.547998 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -14.087 tors. eta vs tors. theta energy: -13.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -214.815275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.815275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.815275 (E_RNA) where: Base-Base interactions energy: -146.799 where: short stacking energy: -76.269 Base-Backbone interact. energy: 0.837 local terms energy: -68.853469 where: bonds (distance) C4'-P energy: -15.840 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -17.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -181.996538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.996538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.996538 (E_RNA) where: Base-Base interactions energy: -121.387 where: short stacking energy: -48.223 Base-Backbone interact. energy: -0.246 local terms energy: -60.363957 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -14.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -289.874526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.874526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.874526 (E_RNA) where: Base-Base interactions energy: -203.166 where: short stacking energy: -87.082 Base-Backbone interact. energy: -0.363 local terms energy: -86.346238 where: bonds (distance) C4'-P energy: -16.688 bonds (distance) P-C4' energy: -18.446 flat angles C4'-P-C4' energy: -18.989 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -20.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -287.736148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.736148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.736148 (E_RNA) where: Base-Base interactions energy: -200.497 where: short stacking energy: -83.198 Base-Backbone interact. energy: -0.863 local terms energy: -86.376108 where: bonds (distance) C4'-P energy: -18.650 bonds (distance) P-C4' energy: -19.327 flat angles C4'-P-C4' energy: -18.129 flat angles P-C4'-P energy: -9.434 tors. eta vs tors. theta energy: -20.836 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: 452 Temperature: 1.000000 Total energy: -277.696066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.696066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.696066 (E_RNA) where: Base-Base interactions energy: -199.191 where: short stacking energy: -86.989 Base-Backbone interact. energy: -0.382 local terms energy: -78.122808 where: bonds (distance) C4'-P energy: -15.131 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -17.127 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -18.368 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: 4, replica: 10 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -274.749568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.749568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.749568 (E_RNA) where: Base-Base interactions energy: -196.373 where: short stacking energy: -84.516 Base-Backbone interact. energy: -0.074 local terms energy: -78.302572 where: bonds (distance) C4'-P energy: -16.393 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -17.149 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -18.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -267.462752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.462752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.462752 (E_RNA) where: Base-Base interactions energy: -189.266 where: short stacking energy: -82.698 Base-Backbone interact. energy: 1.054 local terms energy: -79.250788 where: bonds (distance) C4'-P energy: -19.010 bonds (distance) P-C4' energy: -17.390 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -16.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -257.512109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.512109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.512109 (E_RNA) where: Base-Base interactions energy: -189.944 where: short stacking energy: -77.338 Base-Backbone interact. energy: -0.111 local terms energy: -67.456470 where: bonds (distance) C4'-P energy: -16.590 bonds (distance) P-C4' energy: -12.974 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -12.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -235.745543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.745543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.745543 (E_RNA) where: Base-Base interactions energy: -166.388 where: short stacking energy: -69.655 Base-Backbone interact. energy: 0.059 local terms energy: -69.417292 where: bonds (distance) C4'-P energy: -6.706 bonds (distance) P-C4' energy: -17.220 flat angles C4'-P-C4' energy: -17.103 flat angles P-C4'-P energy: -12.275 tors. eta vs tors. theta energy: -16.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -220.554102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.554102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.554102 (E_RNA) where: Base-Base interactions energy: -159.754 where: short stacking energy: -60.280 Base-Backbone interact. energy: 0.519 local terms energy: -61.319077 where: bonds (distance) C4'-P energy: -9.383 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -10.987 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: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -200.437770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.437770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.437770 (E_RNA) where: Base-Base interactions energy: -132.928 where: short stacking energy: -63.876 Base-Backbone interact. energy: 0.871 local terms energy: -68.380633 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -12.974 tors. eta vs tors. theta energy: -16.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -199.850894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.850894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.850894 (E_RNA) where: Base-Base interactions energy: -140.010 where: short stacking energy: -61.605 Base-Backbone interact. energy: -0.144 local terms energy: -59.697047 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -18.366 flat angles C4'-P-C4' energy: -16.851 flat angles P-C4'-P energy: -8.369 tors. eta vs tors. theta energy: -8.531 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: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -287.604797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.604797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.604797 (E_RNA) where: Base-Base interactions energy: -203.757 where: short stacking energy: -88.604 Base-Backbone interact. energy: -0.316 local terms energy: -83.531848 where: bonds (distance) C4'-P energy: -17.598 bonds (distance) P-C4' energy: -19.013 flat angles C4'-P-C4' energy: -18.092 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -19.476 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: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -285.783159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.783159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.783159 (E_RNA) where: Base-Base interactions energy: -199.149 where: short stacking energy: -87.797 Base-Backbone interact. energy: -1.679 local terms energy: -84.955255 where: bonds (distance) C4'-P energy: -18.149 bonds (distance) P-C4' energy: -18.763 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -12.024 tors. eta vs tors. theta energy: -19.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -272.161090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.161090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.161090 (E_RNA) where: Base-Base interactions energy: -192.678 where: short stacking energy: -85.756 Base-Backbone interact. energy: -0.012 local terms energy: -79.470740 where: bonds (distance) C4'-P energy: -17.482 bonds (distance) P-C4' energy: -15.630 flat angles C4'-P-C4' energy: -17.648 flat angles P-C4'-P energy: -13.638 tors. eta vs tors. theta energy: -15.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -276.769596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.769596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.769596 (E_RNA) where: Base-Base interactions energy: -195.328 where: short stacking energy: -82.170 Base-Backbone interact. energy: -0.287 local terms energy: -81.154219 where: bonds (distance) C4'-P energy: -17.537 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -15.487 flat angles P-C4'-P energy: -10.969 tors. eta vs tors. theta energy: -20.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -267.195009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.195009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.195009 (E_RNA) where: Base-Base interactions energy: -184.894 where: short stacking energy: -80.263 Base-Backbone interact. energy: -1.128 local terms energy: -81.173466 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -19.267 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -14.151 tors. eta vs tors. theta energy: -17.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -259.776634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.776634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.776634 (E_RNA) where: Base-Base interactions energy: -182.525 where: short stacking energy: -71.940 Base-Backbone interact. energy: -0.338 local terms energy: -76.913129 where: bonds (distance) C4'-P energy: -14.203 bonds (distance) P-C4' energy: -17.875 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -15.041 tors. eta vs tors. theta energy: -18.229 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: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -216.693804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.693804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.693804 (E_RNA) where: Base-Base interactions energy: -151.442 where: short stacking energy: -50.124 Base-Backbone interact. energy: -0.096 local terms energy: -65.155650 where: bonds (distance) C4'-P energy: -16.190 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -12.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -217.809560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.809560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.809560 (E_RNA) where: Base-Base interactions energy: -141.933 where: short stacking energy: -72.596 Base-Backbone interact. energy: -0.736 local terms energy: -75.140708 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -18.707 flat angles C4'-P-C4' energy: -17.585 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -16.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -210.342980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.342980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.342980 (E_RNA) where: Base-Base interactions energy: -155.991 where: short stacking energy: -64.372 Base-Backbone interact. energy: -0.501 local terms energy: -53.850765 where: bonds (distance) C4'-P energy: -15.318 bonds (distance) P-C4' energy: -9.788 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -12.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -196.086077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.086077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.086077 (E_RNA) where: Base-Base interactions energy: -133.021 where: short stacking energy: -61.236 Base-Backbone interact. energy: -0.008 local terms energy: -63.057509 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -11.184 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -11.104 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: 1, replica: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -286.247522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.247522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.247522 (E_RNA) where: Base-Base interactions energy: -198.835 where: short stacking energy: -81.134 Base-Backbone interact. energy: -2.237 local terms energy: -85.175668 where: bonds (distance) C4'-P energy: -18.203 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -12.145 tors. eta vs tors. theta energy: -23.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -282.182972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.182972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.182972 (E_RNA) where: Base-Base interactions energy: -202.351 where: short stacking energy: -85.677 Base-Backbone interact. energy: -0.122 local terms energy: -79.709586 where: bonds (distance) C4'-P energy: -17.124 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -17.059 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -20.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -283.702716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.702716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.702716 (E_RNA) where: Base-Base interactions energy: -196.625 where: short stacking energy: -74.642 Base-Backbone interact. energy: -0.674 local terms energy: -86.403788 where: bonds (distance) C4'-P energy: -17.893 bonds (distance) P-C4' energy: -16.999 flat angles C4'-P-C4' energy: -16.948 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -22.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -265.006877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.006877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.006877 (E_RNA) where: Base-Base interactions energy: -187.168 where: short stacking energy: -72.605 Base-Backbone interact. energy: 1.079 local terms energy: -78.918540 where: bonds (distance) C4'-P energy: -15.230 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -18.805 flat angles P-C4'-P energy: -14.005 tors. eta vs tors. theta energy: -16.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -263.304162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.304162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.304162 (E_RNA) where: Base-Base interactions energy: -186.188 where: short stacking energy: -83.576 Base-Backbone interact. energy: -0.143 local terms energy: -76.972908 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -16.465 flat angles C4'-P-C4' energy: -17.734 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -22.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -266.067885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.067885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.067885 (E_RNA) where: Base-Base interactions energy: -194.247 where: short stacking energy: -81.090 Base-Backbone interact. energy: -0.158 local terms energy: -71.662825 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -17.955 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -18.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -220.016864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.016864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.016864 (E_RNA) where: Base-Base interactions energy: -150.301 where: short stacking energy: -77.006 Base-Backbone interact. energy: 0.029 local terms energy: -69.744547 where: bonds (distance) C4'-P energy: -10.792 bonds (distance) P-C4' energy: -15.832 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -18.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -205.237759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.237759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.237759 (E_RNA) where: Base-Base interactions energy: -131.756 where: short stacking energy: -65.730 Base-Backbone interact. energy: 1.747 local terms energy: -75.228350 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -17.281 flat angles C4'-P-C4' energy: -15.229 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -197.804240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.804240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.804240 (E_RNA) where: Base-Base interactions energy: -139.416 where: short stacking energy: -72.303 Base-Backbone interact. energy: -0.099 local terms energy: -58.288900 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -10.079 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -14.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -200.074509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.074509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.074509 (E_RNA) where: Base-Base interactions energy: -143.867 where: short stacking energy: -57.113 Base-Backbone interact. energy: -0.015 local terms energy: -56.192559 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -10.599 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -12.211 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: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -286.551734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.551734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.551734 (E_RNA) where: Base-Base interactions energy: -205.118 where: short stacking energy: -91.661 Base-Backbone interact. energy: -0.798 local terms energy: -80.635586 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -19.029 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -20.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -281.202543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.202543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.202543 (E_RNA) where: Base-Base interactions energy: -208.763 where: short stacking energy: -86.817 Base-Backbone interact. energy: 0.411 local terms energy: -72.850871 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -11.738 tors. eta vs tors. theta energy: -18.404 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: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -283.177933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.177933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.177933 (E_RNA) where: Base-Base interactions energy: -204.776 where: short stacking energy: -84.281 Base-Backbone interact. energy: -0.331 local terms energy: -78.071525 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -16.781 flat angles C4'-P-C4' energy: -18.622 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -267.445100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.445100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.445100 (E_RNA) where: Base-Base interactions energy: -187.712 where: short stacking energy: -75.282 Base-Backbone interact. energy: 0.873 local terms energy: -80.606015 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -16.145 flat angles C4'-P-C4' energy: -19.045 flat angles P-C4'-P energy: -13.622 tors. eta vs tors. theta energy: -18.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -269.633896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.633896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.633896 (E_RNA) where: Base-Base interactions energy: -195.808 where: short stacking energy: -85.135 Base-Backbone interact. energy: -0.549 local terms energy: -73.276937 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -11.501 flat angles C4'-P-C4' energy: -15.283 flat angles P-C4'-P energy: -13.312 tors. eta vs tors. theta energy: -19.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -256.368650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.368650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.368650 (E_RNA) where: Base-Base interactions energy: -181.905 where: short stacking energy: -78.655 Base-Backbone interact. energy: -0.353 local terms energy: -74.110724 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -15.191 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -19.933 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: 8 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -212.157539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.157539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.157539 (E_RNA) where: Base-Base interactions energy: -143.416 where: short stacking energy: -72.345 Base-Backbone interact. energy: -0.071 local terms energy: -68.669569 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -11.956 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -21.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -199.259523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.259523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.259523 (E_RNA) where: Base-Base interactions energy: -128.137 where: short stacking energy: -63.977 Base-Backbone interact. energy: -0.182 local terms energy: -70.940453 where: bonds (distance) C4'-P energy: -16.790 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -16.670 flat angles P-C4'-P energy: -11.352 tors. eta vs tors. theta energy: -12.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -203.464029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.464029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.464029 (E_RNA) where: Base-Base interactions energy: -140.069 where: short stacking energy: -62.351 Base-Backbone interact. energy: -0.114 local terms energy: -63.281496 where: bonds (distance) C4'-P energy: -15.873 bonds (distance) P-C4' energy: -15.462 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -14.035 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: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -196.342028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.342028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.342028 (E_RNA) where: Base-Base interactions energy: -129.138 where: short stacking energy: -57.090 Base-Backbone interact. energy: -0.091 local terms energy: -67.112621 where: bonds (distance) C4'-P energy: -16.713 bonds (distance) P-C4' energy: -9.966 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -17.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -282.985402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.985402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.985402 (E_RNA) where: Base-Base interactions energy: -199.931 where: short stacking energy: -80.035 Base-Backbone interact. energy: -0.623 local terms energy: -82.431797 where: bonds (distance) C4'-P energy: -15.867 bonds (distance) P-C4' energy: -18.191 flat angles C4'-P-C4' energy: -18.602 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -17.822 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: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -274.386777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.386777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.386777 (E_RNA) where: Base-Base interactions energy: -204.910 where: short stacking energy: -77.398 Base-Backbone interact. energy: 1.689 local terms energy: -71.166143 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -17.564 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -9.177 tors. eta vs tors. theta energy: -17.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -272.903259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.903259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.903259 (E_RNA) where: Base-Base interactions energy: -193.596 where: short stacking energy: -82.698 Base-Backbone interact. energy: -0.094 local terms energy: -79.212390 where: bonds (distance) C4'-P energy: -15.813 bonds (distance) P-C4' energy: -13.223 flat angles C4'-P-C4' energy: -19.687 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -19.074 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: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -271.028513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.028513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.028513 (E_RNA) where: Base-Base interactions energy: -189.147 where: short stacking energy: -84.387 Base-Backbone interact. energy: -0.031 local terms energy: -81.850548 where: bonds (distance) C4'-P energy: -17.710 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -12.440 tors. eta vs tors. theta energy: -22.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -273.903470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.903470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.903470 (E_RNA) where: Base-Base interactions energy: -204.978 where: short stacking energy: -83.722 Base-Backbone interact. energy: -1.308 local terms energy: -67.616865 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -14.962 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -17.245 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: 6, replica: 6 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -257.351248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.351248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.351248 (E_RNA) where: Base-Base interactions energy: -181.944 where: short stacking energy: -73.294 Base-Backbone interact. energy: -1.005 local terms energy: -74.402346 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -17.950 flat angles C4'-P-C4' energy: -15.240 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -19.134 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -205.090772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.090772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.090772 (E_RNA) where: Base-Base interactions energy: -137.449 where: short stacking energy: -61.282 Base-Backbone interact. energy: -0.070 local terms energy: -67.572239 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -19.196 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -14.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -216.066908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.066908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.066908 (E_RNA) where: Base-Base interactions energy: -146.025 where: short stacking energy: -73.674 Base-Backbone interact. energy: -0.124 local terms energy: -69.918115 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -9.758 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -22.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -207.690631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.690631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.690631 (E_RNA) where: Base-Base interactions energy: -143.087 where: short stacking energy: -59.295 Base-Backbone interact. energy: 0.514 local terms energy: -65.118220 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -18.855 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -11.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -154.080258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.080258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.080258 (E_RNA) where: Base-Base interactions energy: -103.274 where: short stacking energy: -44.328 Base-Backbone interact. energy: -0.242 local terms energy: -50.564117 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -12.471 flat angles C4'-P-C4' energy: -11.134 flat angles P-C4'-P energy: -13.837 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -288.496200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.496200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.496200 (E_RNA) where: Base-Base interactions energy: -209.427 where: short stacking energy: -84.070 Base-Backbone interact. energy: 0.096 local terms energy: -79.165755 where: bonds (distance) C4'-P energy: -17.428 bonds (distance) P-C4' energy: -16.621 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -19.724 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: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -285.244390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.244390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.244390 (E_RNA) where: Base-Base interactions energy: -201.853 where: short stacking energy: -88.669 Base-Backbone interact. energy: -0.640 local terms energy: -82.751107 where: bonds (distance) C4'-P energy: -18.633 bonds (distance) P-C4' energy: -18.002 flat angles C4'-P-C4' energy: -17.184 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -17.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -276.100399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.100399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.100399 (E_RNA) where: Base-Base interactions energy: -195.648 where: short stacking energy: -83.461 Base-Backbone interact. energy: -0.119 local terms energy: -80.332698 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -19.074 flat angles C4'-P-C4' energy: -16.332 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -275.911272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.911272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.911272 (E_RNA) where: Base-Base interactions energy: -193.388 where: short stacking energy: -82.025 Base-Backbone interact. energy: -0.132 local terms energy: -82.391576 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -15.781 flat angles C4'-P-C4' energy: -18.100 flat angles P-C4'-P energy: -11.501 tors. eta vs tors. theta energy: -20.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -261.854643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.854643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.854643 (E_RNA) where: Base-Base interactions energy: -186.638 where: short stacking energy: -74.183 Base-Backbone interact. energy: -0.107 local terms energy: -75.109152 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -19.870 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: 457 Temperature: 1.150000 Total energy: -258.744823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.744823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.744823 (E_RNA) where: Base-Base interactions energy: -179.993 where: short stacking energy: -74.035 Base-Backbone interact. energy: -0.667 local terms energy: -78.084477 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -16.888 flat angles C4'-P-C4' energy: -16.362 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -19.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -230.587495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.587495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.587495 (E_RNA) where: Base-Base interactions energy: -148.889 where: short stacking energy: -69.945 Base-Backbone interact. energy: -0.640 local terms energy: -81.058796 where: bonds (distance) C4'-P energy: -16.322 bonds (distance) P-C4' energy: -15.393 flat angles C4'-P-C4' energy: -19.211 flat angles P-C4'-P energy: -12.066 tors. eta vs tors. theta energy: -18.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -214.782847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.782847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.782847 (E_RNA) where: Base-Base interactions energy: -147.694 where: short stacking energy: -70.323 Base-Backbone interact. energy: -0.185 local terms energy: -66.903753 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -10.857 flat angles C4'-P-C4' energy: -17.890 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -18.839 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: 457 Temperature: 1.300000 Total energy: -208.139631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.139631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.139631 (E_RNA) where: Base-Base interactions energy: -138.288 where: short stacking energy: -61.715 Base-Backbone interact. energy: -0.048 local terms energy: -69.804392 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -15.897 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -11.655 tors. eta vs tors. theta energy: -15.987 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: 1 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -151.649082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.649082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.649082 (E_RNA) where: Base-Base interactions energy: -92.446 where: short stacking energy: -56.309 Base-Backbone interact. energy: 1.749 local terms energy: -60.952575 where: bonds (distance) C4'-P energy: -10.713 bonds (distance) P-C4' energy: -16.344 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -12.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -284.818854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.818854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.818854 (E_RNA) where: Base-Base interactions energy: -204.629 where: short stacking energy: -85.835 Base-Backbone interact. energy: -0.727 local terms energy: -79.463421 where: bonds (distance) C4'-P energy: -17.697 bonds (distance) P-C4' energy: -18.665 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -283.161699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.161699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.161699 (E_RNA) where: Base-Base interactions energy: -198.778 where: short stacking energy: -84.695 Base-Backbone interact. energy: -1.104 local terms energy: -83.279919 where: bonds (distance) C4'-P energy: -13.861 bonds (distance) P-C4' energy: -18.397 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -14.387 tors. eta vs tors. theta energy: -20.720 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: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -280.207064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.207064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.207064 (E_RNA) where: Base-Base interactions energy: -194.694 where: short stacking energy: -77.477 Base-Backbone interact. energy: -0.113 local terms energy: -85.400739 where: bonds (distance) C4'-P energy: -17.847 bonds (distance) P-C4' energy: -15.776 flat angles C4'-P-C4' energy: -18.742 flat angles P-C4'-P energy: -14.922 tors. eta vs tors. theta energy: -18.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -271.001921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.001921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.001921 (E_RNA) where: Base-Base interactions energy: -202.563 where: short stacking energy: -85.382 Base-Backbone interact. energy: -0.112 local terms energy: -68.327312 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -17.473 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: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -275.856509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.856509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.856509 (E_RNA) where: Base-Base interactions energy: -196.892 where: short stacking energy: -82.067 Base-Backbone interact. energy: -0.238 local terms energy: -78.726249 where: bonds (distance) C4'-P energy: -14.358 bonds (distance) P-C4' energy: -16.581 flat angles C4'-P-C4' energy: -15.512 flat angles P-C4'-P energy: -11.916 tors. eta vs tors. theta energy: -20.360 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: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -266.318321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.318321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.318321 (E_RNA) where: Base-Base interactions energy: -191.758 where: short stacking energy: -78.273 Base-Backbone interact. energy: -0.704 local terms energy: -73.856054 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -18.668 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -18.518 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: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -211.092336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.092336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.092336 (E_RNA) where: Base-Base interactions energy: -140.413 where: short stacking energy: -74.031 Base-Backbone interact. energy: -0.058 local terms energy: -70.621154 where: bonds (distance) C4'-P energy: -16.124 bonds (distance) P-C4' energy: -15.602 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -17.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -216.346957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.346957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.346957 (E_RNA) where: Base-Base interactions energy: -145.451 where: short stacking energy: -74.819 Base-Backbone interact. energy: -0.075 local terms energy: -70.821366 where: bonds (distance) C4'-P energy: -15.096 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -12.408 tors. eta vs tors. theta energy: -18.370 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: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -194.658847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.658847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.658847 (E_RNA) where: Base-Base interactions energy: -133.106 where: short stacking energy: -58.983 Base-Backbone interact. energy: -0.233 local terms energy: -61.319984 where: bonds (distance) C4'-P energy: -16.096 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -10.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -103.813437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.813437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.813437 (E_RNA) where: Base-Base interactions energy: -57.903 where: short stacking energy: -36.738 Base-Backbone interact. energy: -0.246 local terms energy: -45.665019 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -17.769 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -5.092 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: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -284.191507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.191507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.191507 (E_RNA) where: Base-Base interactions energy: -201.976 where: short stacking energy: -83.817 Base-Backbone interact. energy: 0.982 local terms energy: -83.197548 where: bonds (distance) C4'-P energy: -18.506 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -16.430 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -283.096092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.096092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.096092 (E_RNA) where: Base-Base interactions energy: -204.893 where: short stacking energy: -78.438 Base-Backbone interact. energy: -1.965 local terms energy: -76.237706 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -17.124 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -274.804670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.804670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.804670 (E_RNA) where: Base-Base interactions energy: -192.592 where: short stacking energy: -80.314 Base-Backbone interact. energy: -0.714 local terms energy: -81.498434 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -16.381 flat angles C4'-P-C4' energy: -16.707 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -23.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -271.004559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.004559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.004559 (E_RNA) where: Base-Base interactions energy: -197.541 where: short stacking energy: -81.776 Base-Backbone interact. energy: -0.103 local terms energy: -73.361282 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -17.735 flat angles C4'-P-C4' energy: -18.191 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -265.147097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.147097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.147097 (E_RNA) where: Base-Base interactions energy: -189.733 where: short stacking energy: -78.233 Base-Backbone interact. energy: -0.790 local terms energy: -74.624663 where: bonds (distance) C4'-P energy: -15.244 bonds (distance) P-C4' energy: -9.244 flat angles C4'-P-C4' energy: -18.220 flat angles P-C4'-P energy: -15.298 tors. eta vs tors. theta energy: -16.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -260.607244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.607244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.607244 (E_RNA) where: Base-Base interactions energy: -183.952 where: short stacking energy: -77.094 Base-Backbone interact. energy: 1.236 local terms energy: -77.891425 where: bonds (distance) C4'-P energy: -17.632 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -13.796 tors. eta vs tors. theta energy: -17.822 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: 9 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -213.662214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.662214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.662214 (E_RNA) where: Base-Base interactions energy: -138.162 where: short stacking energy: -70.759 Base-Backbone interact. energy: -0.090 local terms energy: -75.410774 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -18.424 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -13.441 tors. eta vs tors. theta energy: -18.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -206.719278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.719278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.719278 (E_RNA) where: Base-Base interactions energy: -134.909 where: short stacking energy: -64.446 Base-Backbone interact. energy: -0.018 local terms energy: -71.791370 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -12.496 tors. eta vs tors. theta energy: -18.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -221.208317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.208317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.208317 (E_RNA) where: Base-Base interactions energy: -163.877 where: short stacking energy: -65.510 Base-Backbone interact. energy: -0.157 local terms energy: -57.174006 where: bonds (distance) C4'-P energy: -18.902 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -10.228 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: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -114.963841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.963841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.963841 (E_RNA) where: Base-Base interactions energy: -59.717 where: short stacking energy: -40.080 Base-Backbone interact. energy: -0.267 local terms energy: -54.979538 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -18.027 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -6.986 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: 5 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -280.425205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.425205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.425205 (E_RNA) where: Base-Base interactions energy: -197.262 where: short stacking energy: -79.059 Base-Backbone interact. energy: -1.268 local terms energy: -81.894909 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -17.483 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -23.934 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: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -281.231895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.231895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.231895 (E_RNA) where: Base-Base interactions energy: -200.500 where: short stacking energy: -85.575 Base-Backbone interact. energy: -0.657 local terms energy: -80.074219 where: bonds (distance) C4'-P energy: -14.569 bonds (distance) P-C4' energy: -16.753 flat angles C4'-P-C4' energy: -17.639 flat angles P-C4'-P energy: -13.064 tors. eta vs tors. theta energy: -18.049 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: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -278.260468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.260468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.260468 (E_RNA) where: Base-Base interactions energy: -207.830 where: short stacking energy: -88.483 Base-Backbone interact. energy: -0.275 local terms energy: -70.155423 where: bonds (distance) C4'-P energy: -16.158 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -17.426 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -17.697 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: 460 Temperature: 1.050000 Total energy: -274.985061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.985061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.985061 (E_RNA) where: Base-Base interactions energy: -199.772 where: short stacking energy: -84.613 Base-Backbone interact. energy: 0.543 local terms energy: -75.756420 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -16.608 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -20.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -274.330986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.330986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.330986 (E_RNA) where: Base-Base interactions energy: -201.947 where: short stacking energy: -81.791 Base-Backbone interact. energy: 2.222 local terms energy: -74.605878 where: bonds (distance) C4'-P energy: -18.157 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -17.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -266.609852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.609852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.609852 (E_RNA) where: Base-Base interactions energy: -187.731 where: short stacking energy: -80.452 Base-Backbone interact. energy: -0.093 local terms energy: -78.785694 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -17.872 flat angles P-C4'-P energy: -10.206 tors. eta vs tors. theta energy: -18.609 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: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -223.946174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.946174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.946174 (E_RNA) where: Base-Base interactions energy: -149.545 where: short stacking energy: -74.317 Base-Backbone interact. energy: -0.370 local terms energy: -74.031117 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -13.427 tors. eta vs tors. theta energy: -19.876 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: 460 Temperature: 1.250000 Total energy: -197.856695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.856695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.856695 (E_RNA) where: Base-Base interactions energy: -134.757 where: short stacking energy: -58.815 Base-Backbone interact. energy: 0.258 local terms energy: -63.357834 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -18.347 flat angles P-C4'-P energy: -12.215 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: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -237.811212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.811212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.811212 (E_RNA) where: Base-Base interactions energy: -169.377 where: short stacking energy: -68.704 Base-Backbone interact. energy: -0.011 local terms energy: -68.423062 where: bonds (distance) C4'-P energy: -17.093 bonds (distance) P-C4' energy: -14.943 flat angles C4'-P-C4' energy: -10.342 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -15.348 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: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -102.655435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.655435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.655435 (E_RNA) where: Base-Base interactions energy: -51.855 where: short stacking energy: -24.899 Base-Backbone interact. energy: 0.107 local terms energy: -50.907063 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -11.635 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -285.322748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.322748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.322748 (E_RNA) where: Base-Base interactions energy: -201.656 where: short stacking energy: -78.281 Base-Backbone interact. energy: 0.127 local terms energy: -83.793750 where: bonds (distance) C4'-P energy: -17.566 bonds (distance) P-C4' energy: -19.023 flat angles C4'-P-C4' energy: -16.449 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -20.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -280.814157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.814157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.814157 (E_RNA) where: Base-Base interactions energy: -196.675 where: short stacking energy: -79.578 Base-Backbone interact. energy: -0.501 local terms energy: -83.638295 where: bonds (distance) C4'-P energy: -15.827 bonds (distance) P-C4' energy: -16.491 flat angles C4'-P-C4' energy: -18.539 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -22.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -278.138687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.138687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.138687 (E_RNA) where: Base-Base interactions energy: -194.158 where: short stacking energy: -80.170 Base-Backbone interact. energy: -2.050 local terms energy: -81.930832 where: bonds (distance) C4'-P energy: -14.096 bonds (distance) P-C4' energy: -17.441 flat angles C4'-P-C4' energy: -17.188 flat angles P-C4'-P energy: -12.858 tors. eta vs tors. theta energy: -20.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -277.085335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.085335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.085335 (E_RNA) where: Base-Base interactions energy: -197.012 where: short stacking energy: -81.627 Base-Backbone interact. energy: -0.749 local terms energy: -79.325001 where: bonds (distance) C4'-P energy: -9.637 bonds (distance) P-C4' energy: -17.315 flat angles C4'-P-C4' energy: -17.971 flat angles P-C4'-P energy: -13.443 tors. eta vs tors. theta energy: -20.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -266.487005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.487005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.487005 (E_RNA) where: Base-Base interactions energy: -189.055 where: short stacking energy: -85.121 Base-Backbone interact. energy: -0.110 local terms energy: -77.321809 where: bonds (distance) C4'-P energy: -16.498 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -17.824 flat angles P-C4'-P energy: -12.714 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -267.640513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.640513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.640513 (E_RNA) where: Base-Base interactions energy: -186.681 where: short stacking energy: -77.996 Base-Backbone interact. energy: -0.590 local terms energy: -80.369330 where: bonds (distance) C4'-P energy: -18.986 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -16.408 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -19.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -207.588752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.588752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.588752 (E_RNA) where: Base-Base interactions energy: -131.146 where: short stacking energy: -67.910 Base-Backbone interact. energy: -0.129 local terms energy: -76.313583 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -18.005 flat angles C4'-P-C4' energy: -18.473 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -18.248 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: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -224.191641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.191641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.191641 (E_RNA) where: Base-Base interactions energy: -154.059 where: short stacking energy: -69.370 Base-Backbone interact. energy: -0.113 local terms energy: -70.019548 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -10.923 flat angles C4'-P-C4' energy: -16.282 flat angles P-C4'-P energy: -13.065 tors. eta vs tors. theta energy: -16.580 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: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -198.317503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.317503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.317503 (E_RNA) where: Base-Base interactions energy: -127.240 where: short stacking energy: -60.776 Base-Backbone interact. energy: -0.076 local terms energy: -71.001849 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -16.210 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -17.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -96.477069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.477069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.477069 (E_RNA) where: Base-Base interactions energy: -56.872 where: short stacking energy: -36.520 Base-Backbone interact. energy: 0.479 local terms energy: -40.083535 where: bonds (distance) C4'-P energy: -11.049 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -11.229 flat angles P-C4'-P energy: -6.452 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: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -285.044303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.044303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.044303 (E_RNA) where: Base-Base interactions energy: -199.529 where: short stacking energy: -84.289 Base-Backbone interact. energy: -0.524 local terms energy: -84.991114 where: bonds (distance) C4'-P energy: -18.984 bonds (distance) P-C4' energy: -16.762 flat angles C4'-P-C4' energy: -19.348 flat angles P-C4'-P energy: -9.429 tors. eta vs tors. theta energy: -20.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -274.218820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.218820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.218820 (E_RNA) where: Base-Base interactions energy: -190.685 where: short stacking energy: -80.064 Base-Backbone interact. energy: -0.876 local terms energy: -82.657235 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -18.980 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -12.943 tors. eta vs tors. theta energy: -21.010 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: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -280.047136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.047136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.047136 (E_RNA) where: Base-Base interactions energy: -198.381 where: short stacking energy: -81.332 Base-Backbone interact. energy: -0.142 local terms energy: -81.524353 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -20.032 flat angles C4'-P-C4' energy: -18.261 flat angles P-C4'-P energy: -13.064 tors. eta vs tors. theta energy: -21.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -269.151366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.151366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.151366 (E_RNA) where: Base-Base interactions energy: -191.512 where: short stacking energy: -71.602 Base-Backbone interact. energy: -0.166 local terms energy: -77.472867 where: bonds (distance) C4'-P energy: -18.009 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -17.604 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -19.224 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: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -266.633193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.633193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.633193 (E_RNA) where: Base-Base interactions energy: -188.698 where: short stacking energy: -77.544 Base-Backbone interact. energy: -2.638 local terms energy: -75.296883 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -17.696 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -12.691 tors. eta vs tors. theta energy: -18.197 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: 462 Temperature: 1.150000 Total energy: -262.122526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.122526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.122526 (E_RNA) where: Base-Base interactions energy: -184.824 where: short stacking energy: -78.177 Base-Backbone interact. energy: -0.054 local terms energy: -77.243935 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -19.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -205.413548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.413548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.413548 (E_RNA) where: Base-Base interactions energy: -138.928 where: short stacking energy: -69.116 Base-Backbone interact. energy: -0.077 local terms energy: -66.408556 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -20.441 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -6.408 tors. eta vs tors. theta energy: -10.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -204.625198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.625198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.625198 (E_RNA) where: Base-Base interactions energy: -144.570 where: short stacking energy: -75.186 Base-Backbone interact. energy: 1.398 local terms energy: -61.453036 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -8.821 flat angles C4'-P-C4' energy: -16.780 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -15.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -192.900117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.900117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.900117 (E_RNA) where: Base-Base interactions energy: -129.317 where: short stacking energy: -59.851 Base-Backbone interact. energy: -0.004 local terms energy: -63.579661 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -12.699 tors. eta vs tors. theta energy: -11.463 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: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -95.394603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.394603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.394603 (E_RNA) where: Base-Base interactions energy: -47.479 where: short stacking energy: -39.610 Base-Backbone interact. energy: 0.687 local terms energy: -48.602641 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -16.141 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -9.629 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: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -287.146840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.146840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.146840 (E_RNA) where: Base-Base interactions energy: -205.839 where: short stacking energy: -89.094 Base-Backbone interact. energy: -0.205 local terms energy: -81.103455 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -18.735 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -12.066 tors. eta vs tors. theta energy: -20.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -281.580253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.580253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.580253 (E_RNA) where: Base-Base interactions energy: -200.372 where: short stacking energy: -82.216 Base-Backbone interact. energy: 0.985 local terms energy: -82.193474 where: bonds (distance) C4'-P energy: -18.567 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -22.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -272.523866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.523866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.523866 (E_RNA) where: Base-Base interactions energy: -191.783 where: short stacking energy: -85.165 Base-Backbone interact. energy: 1.381 local terms energy: -82.121872 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -17.023 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -14.409 tors. eta vs tors. theta energy: -18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -270.619185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.619185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.619185 (E_RNA) where: Base-Base interactions energy: -190.061 where: short stacking energy: -77.408 Base-Backbone interact. energy: -0.263 local terms energy: -80.295384 where: bonds (distance) C4'-P energy: -15.672 bonds (distance) P-C4' energy: -18.170 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -13.288 tors. eta vs tors. theta energy: -18.567 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: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -264.190615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.190615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.190615 (E_RNA) where: Base-Base interactions energy: -188.319 where: short stacking energy: -75.165 Base-Backbone interact. energy: -1.099 local terms energy: -74.773177 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -17.978 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -17.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -266.997144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.997144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.997144 (E_RNA) where: Base-Base interactions energy: -186.742 where: short stacking energy: -80.996 Base-Backbone interact. energy: -0.094 local terms energy: -80.161902 where: bonds (distance) C4'-P energy: -18.165 bonds (distance) P-C4' energy: -16.270 flat angles C4'-P-C4' energy: -16.818 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -17.758 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: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -212.054906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.054906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.054906 (E_RNA) where: Base-Base interactions energy: -140.713 where: short stacking energy: -60.660 Base-Backbone interact. energy: -0.118 local terms energy: -71.223313 where: bonds (distance) C4'-P energy: -17.888 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -13.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -209.367180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.367180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.367180 (E_RNA) where: Base-Base interactions energy: -136.882 where: short stacking energy: -65.087 Base-Backbone interact. energy: -0.077 local terms energy: -72.407588 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -17.792 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -203.689747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.689747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.689747 (E_RNA) where: Base-Base interactions energy: -133.200 where: short stacking energy: -63.345 Base-Backbone interact. energy: -0.180 local terms energy: -70.309202 where: bonds (distance) C4'-P energy: -15.528 bonds (distance) P-C4' energy: -16.195 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -98.660436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.660436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.660436 (E_RNA) where: Base-Base interactions energy: -45.117 where: short stacking energy: -42.677 Base-Backbone interact. energy: -0.128 local terms energy: -53.414591 where: bonds (distance) C4'-P energy: -17.424 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -5.358 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -293.970571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -293.970571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -293.970571 (E_RNA) where: Base-Base interactions energy: -210.603 where: short stacking energy: -90.796 Base-Backbone interact. energy: -0.459 local terms energy: -82.907834 where: bonds (distance) C4'-P energy: -16.323 bonds (distance) P-C4' energy: -15.530 flat angles C4'-P-C4' energy: -18.191 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -20.502 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: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -277.000960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.000960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.000960 (E_RNA) where: Base-Base interactions energy: -196.973 where: short stacking energy: -86.764 Base-Backbone interact. energy: -0.688 local terms energy: -79.340509 where: bonds (distance) C4'-P energy: -15.296 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -18.918 flat angles P-C4'-P energy: -12.405 tors. eta vs tors. theta energy: -18.513 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: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -281.575666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.575666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.575666 (E_RNA) where: Base-Base interactions energy: -200.434 where: short stacking energy: -85.381 Base-Backbone interact. energy: -0.656 local terms energy: -80.486187 where: bonds (distance) C4'-P energy: -16.925 bonds (distance) P-C4' energy: -14.584 flat angles C4'-P-C4' energy: -17.604 flat angles P-C4'-P energy: -11.619 tors. eta vs tors. theta energy: -19.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -264.146270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.146270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.146270 (E_RNA) where: Base-Base interactions energy: -191.769 where: short stacking energy: -76.048 Base-Backbone interact. energy: -0.027 local terms energy: -72.350841 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -19.374 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -14.923 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -273.024934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.024934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.024934 (E_RNA) where: Base-Base interactions energy: -195.945 where: short stacking energy: -83.614 Base-Backbone interact. energy: -0.573 local terms energy: -76.506995 where: bonds (distance) C4'-P energy: -18.124 bonds (distance) P-C4' energy: -17.225 flat angles C4'-P-C4' energy: -17.419 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -20.384 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: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -257.470942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.470942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.470942 (E_RNA) where: Base-Base interactions energy: -184.562 where: short stacking energy: -75.809 Base-Backbone interact. energy: 0.214 local terms energy: -73.122809 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -14.517 flat angles C4'-P-C4' energy: -14.703 flat angles P-C4'-P energy: -12.694 tors. eta vs tors. theta energy: -18.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -218.019169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.019169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.019169 (E_RNA) where: Base-Base interactions energy: -147.666 where: short stacking energy: -74.571 Base-Backbone interact. energy: -0.024 local terms energy: -70.329094 where: bonds (distance) C4'-P energy: -15.533 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -12.385 tors. eta vs tors. theta energy: -14.079 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: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -205.031411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.031411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.031411 (E_RNA) where: Base-Base interactions energy: -134.692 where: short stacking energy: -64.047 Base-Backbone interact. energy: 0.770 local terms energy: -71.110014 where: bonds (distance) C4'-P energy: -14.974 bonds (distance) P-C4' energy: -18.869 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -13.742 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: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -207.935277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.935277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.935277 (E_RNA) where: Base-Base interactions energy: -133.356 where: short stacking energy: -65.361 Base-Backbone interact. energy: -0.048 local terms energy: -74.531772 where: bonds (distance) C4'-P energy: -19.027 bonds (distance) P-C4' energy: -15.010 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -18.991 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: 1 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -92.755251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.755251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.755251 (E_RNA) where: Base-Base interactions energy: -41.096 where: short stacking energy: -40.479 Base-Backbone interact. energy: -0.334 local terms energy: -51.325720 where: bonds (distance) C4'-P energy: -9.824 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -12.619 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -285.726599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.726599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.726599 (E_RNA) where: Base-Base interactions energy: -207.487 where: short stacking energy: -86.497 Base-Backbone interact. energy: -0.606 local terms energy: -77.633526 where: bonds (distance) C4'-P energy: -11.236 bonds (distance) P-C4' energy: -17.699 flat angles C4'-P-C4' energy: -17.820 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -20.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -278.111969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.111969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.111969 (E_RNA) where: Base-Base interactions energy: -201.917 where: short stacking energy: -83.226 Base-Backbone interact. energy: -0.072 local terms energy: -76.123515 where: bonds (distance) C4'-P energy: -16.758 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -16.446 flat angles P-C4'-P energy: -13.242 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -276.560031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.560031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.560031 (E_RNA) where: Base-Base interactions energy: -200.203 where: short stacking energy: -84.454 Base-Backbone interact. energy: -0.635 local terms energy: -75.722422 where: bonds (distance) C4'-P energy: -15.816 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -19.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -280.305171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.305171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.305171 (E_RNA) where: Base-Base interactions energy: -198.324 where: short stacking energy: -87.196 Base-Backbone interact. energy: -0.190 local terms energy: -81.791305 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -16.822 flat angles C4'-P-C4' energy: -17.778 flat angles P-C4'-P energy: -12.475 tors. eta vs tors. theta energy: -21.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -259.463882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.463882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.463882 (E_RNA) where: Base-Base interactions energy: -188.790 where: short stacking energy: -79.654 Base-Backbone interact. energy: -0.459 local terms energy: -70.214623 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -15.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -267.446011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.446011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.446011 (E_RNA) where: Base-Base interactions energy: -189.650 where: short stacking energy: -72.878 Base-Backbone interact. energy: -0.283 local terms energy: -77.513345 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -18.364 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -20.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -226.401906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.401906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.401906 (E_RNA) where: Base-Base interactions energy: -149.027 where: short stacking energy: -72.730 Base-Backbone interact. energy: -0.015 local terms energy: -77.359855 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -19.081 flat angles C4'-P-C4' energy: -19.192 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -15.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -202.862379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.862379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.862379 (E_RNA) where: Base-Base interactions energy: -135.987 where: short stacking energy: -67.343 Base-Backbone interact. energy: 0.592 local terms energy: -67.467755 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -14.242 flat angles C4'-P-C4' energy: -16.401 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -13.218 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: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -192.244880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.244880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.244880 (E_RNA) where: Base-Base interactions energy: -123.804 where: short stacking energy: -61.944 Base-Backbone interact. energy: -0.057 local terms energy: -68.384715 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -13.204 tors. eta vs tors. theta energy: -13.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -86.921020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.921020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.921020 (E_RNA) where: Base-Base interactions energy: -36.518 where: short stacking energy: -32.260 Base-Backbone interact. energy: -0.112 local terms energy: -50.290229 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -16.016 flat angles P-C4'-P energy: -6.941 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: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -289.982752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.982752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.982752 (E_RNA) where: Base-Base interactions energy: -205.798 where: short stacking energy: -89.154 Base-Backbone interact. energy: -0.233 local terms energy: -83.951967 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -18.358 flat angles C4'-P-C4' energy: -17.304 flat angles P-C4'-P energy: -13.081 tors. eta vs tors. theta energy: -20.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -275.482873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.482873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.482873 (E_RNA) where: Base-Base interactions energy: -192.938 where: short stacking energy: -81.818 Base-Backbone interact. energy: -0.056 local terms energy: -82.488975 where: bonds (distance) C4'-P energy: -18.729 bonds (distance) P-C4' energy: -17.019 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -20.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -270.857352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.857352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.857352 (E_RNA) where: Base-Base interactions energy: -194.285 where: short stacking energy: -88.900 Base-Backbone interact. energy: -1.559 local terms energy: -75.014205 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -21.152 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: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -273.631906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.631906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.631906 (E_RNA) where: Base-Base interactions energy: -194.231 where: short stacking energy: -79.157 Base-Backbone interact. energy: 0.090 local terms energy: -79.491234 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -17.585 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -19.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -264.289523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.289523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.289523 (E_RNA) where: Base-Base interactions energy: -196.866 where: short stacking energy: -82.940 Base-Backbone interact. energy: -0.191 local terms energy: -67.231684 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -15.542 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -10.379 tors. eta vs tors. theta energy: -17.871 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: 6, replica: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -258.849898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.849898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.849898 (E_RNA) where: Base-Base interactions energy: -188.477 where: short stacking energy: -74.533 Base-Backbone interact. energy: 0.456 local terms energy: -70.829476 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -20.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -204.884139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.884139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.884139 (E_RNA) where: Base-Base interactions energy: -135.363 where: short stacking energy: -61.350 Base-Backbone interact. energy: -0.177 local terms energy: -69.343395 where: bonds (distance) C4'-P energy: -14.680 bonds (distance) P-C4' energy: -16.871 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -12.469 tors. eta vs tors. theta energy: -12.717 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: 8, replica: 3 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -204.205243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.205243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.205243 (E_RNA) where: Base-Base interactions energy: -142.935 where: short stacking energy: -76.714 Base-Backbone interact. energy: -0.023 local terms energy: -61.247975 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -17.525 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -11.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -98.729549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.729549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.729549 (E_RNA) where: Base-Base interactions energy: -41.751 where: short stacking energy: -42.951 Base-Backbone interact. energy: -0.289 local terms energy: -56.690368 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -8.986 flat angles C4'-P-C4' energy: -14.854 flat angles P-C4'-P energy: -11.226 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: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -181.161965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.161965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.161965 (E_RNA) where: Base-Base interactions energy: -115.352 where: short stacking energy: -47.725 Base-Backbone interact. energy: -0.165 local terms energy: -65.645026 where: bonds (distance) C4'-P energy: -16.402 bonds (distance) P-C4' energy: -10.795 flat angles C4'-P-C4' energy: -17.293 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -9.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -279.937395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.937395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.937395 (E_RNA) where: Base-Base interactions energy: -200.282 where: short stacking energy: -83.556 Base-Backbone interact. energy: 0.536 local terms energy: -80.190859 where: bonds (distance) C4'-P energy: -18.994 bonds (distance) P-C4' energy: -16.445 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -9.976 tors. eta vs tors. theta energy: -20.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -286.595230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.595230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.595230 (E_RNA) where: Base-Base interactions energy: -203.767 where: short stacking energy: -82.419 Base-Backbone interact. energy: -1.563 local terms energy: -81.265911 where: bonds (distance) C4'-P energy: -10.942 bonds (distance) P-C4' energy: -18.492 flat angles C4'-P-C4' energy: -18.012 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -23.302 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: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -274.928793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.928793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.928793 (E_RNA) where: Base-Base interactions energy: -203.231 where: short stacking energy: -83.511 Base-Backbone interact. energy: -0.109 local terms energy: -71.589057 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -17.904 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -19.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -267.676077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.676077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.676077 (E_RNA) where: Base-Base interactions energy: -194.538 where: short stacking energy: -82.485 Base-Backbone interact. energy: -0.041 local terms energy: -73.097495 where: bonds (distance) C4'-P energy: -17.210 bonds (distance) P-C4' energy: -15.527 flat angles C4'-P-C4' energy: -10.520 flat angles P-C4'-P energy: -12.526 tors. eta vs tors. theta energy: -17.314 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: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -270.305882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.305882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.305882 (E_RNA) where: Base-Base interactions energy: -190.688 where: short stacking energy: -80.421 Base-Backbone interact. energy: -0.277 local terms energy: -79.340777 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -16.523 flat angles C4'-P-C4' energy: -18.017 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -20.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -243.447272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.447272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.447272 (E_RNA) where: Base-Base interactions energy: -170.371 where: short stacking energy: -72.548 Base-Backbone interact. energy: -0.635 local terms energy: -72.441308 where: bonds (distance) C4'-P energy: -17.801 bonds (distance) P-C4' energy: -10.251 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -18.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -214.875423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.875423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.875423 (E_RNA) where: Base-Base interactions energy: -145.268 where: short stacking energy: -74.173 Base-Backbone interact. energy: 0.353 local terms energy: -69.960456 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -12.910 flat angles C4'-P-C4' energy: -16.187 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -15.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -209.111823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.111823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.111823 (E_RNA) where: Base-Base interactions energy: -137.064 where: short stacking energy: -64.517 Base-Backbone interact. energy: -0.004 local terms energy: -72.043594 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -13.351 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -14.738 tors. eta vs tors. theta energy: -13.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -138.468862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.468862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.468862 (E_RNA) where: Base-Base interactions energy: -80.717 where: short stacking energy: -51.980 Base-Backbone interact. energy: -0.165 local terms energy: -57.586844 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -10.055 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -201.347723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.347723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.347723 (E_RNA) where: Base-Base interactions energy: -135.869 where: short stacking energy: -66.104 Base-Backbone interact. energy: 1.929 local terms energy: -67.407305 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -17.380 flat angles C4'-P-C4' energy: -9.795 flat angles P-C4'-P energy: -12.242 tors. eta vs tors. theta energy: -12.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -284.660065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.660065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.660065 (E_RNA) where: Base-Base interactions energy: -200.370 where: short stacking energy: -82.098 Base-Backbone interact. energy: -0.675 local terms energy: -83.615471 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -16.281 flat angles C4'-P-C4' energy: -17.514 flat angles P-C4'-P energy: -12.616 tors. eta vs tors. theta energy: -20.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -277.488020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.488020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.488020 (E_RNA) where: Base-Base interactions energy: -195.018 where: short stacking energy: -80.827 Base-Backbone interact. energy: -0.494 local terms energy: -81.975641 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -18.436 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -21.486 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: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -281.493889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.493889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.493889 (E_RNA) where: Base-Base interactions energy: -200.739 where: short stacking energy: -84.649 Base-Backbone interact. energy: -0.089 local terms energy: -80.665766 where: bonds (distance) C4'-P energy: -15.545 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -19.624 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -19.383 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: 468 Temperature: 1.050000 Total energy: -277.623037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.623037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.623037 (E_RNA) where: Base-Base interactions energy: -198.805 where: short stacking energy: -80.692 Base-Backbone interact. energy: 0.054 local terms energy: -78.871655 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -15.447 flat angles C4'-P-C4' energy: -18.284 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -21.117 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: 7 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -267.719615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.719615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.719615 (E_RNA) where: Base-Base interactions energy: -197.000 where: short stacking energy: -79.086 Base-Backbone interact. energy: 0.095 local terms energy: -70.814380 where: bonds (distance) C4'-P energy: -16.111 bonds (distance) P-C4' energy: -12.686 flat angles C4'-P-C4' energy: -15.517 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -18.768 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: 2 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -242.235283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -242.235283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -242.235283 (E_RNA) where: Base-Base interactions energy: -173.867 where: short stacking energy: -67.787 Base-Backbone interact. energy: -0.813 local terms energy: -67.555953 where: bonds (distance) C4'-P energy: -17.466 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -15.811 flat angles P-C4'-P energy: -11.222 tors. eta vs tors. theta energy: -9.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -213.116463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.116463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.116463 (E_RNA) where: Base-Base interactions energy: -146.924 where: short stacking energy: -67.755 Base-Backbone interact. energy: -0.073 local terms energy: -66.118794 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -14.853 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: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -198.226434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.226434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.226434 (E_RNA) where: Base-Base interactions energy: -138.240 where: short stacking energy: -68.711 Base-Backbone interact. energy: -0.097 local terms energy: -59.889462 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -15.750 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -12.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -198.182741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.182741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.182741 (E_RNA) where: Base-Base interactions energy: -134.484 where: short stacking energy: -67.156 Base-Backbone interact. energy: -0.142 local terms energy: -63.555953 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -16.592 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -12.399 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: 1 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -126.284272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.284272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.284272 (E_RNA) where: Base-Base interactions energy: -74.400 where: short stacking energy: -45.136 Base-Backbone interact. energy: -0.100 local terms energy: -51.783918 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -7.459 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: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -279.593582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.593582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.593582 (E_RNA) where: Base-Base interactions energy: -200.007 where: short stacking energy: -85.506 Base-Backbone interact. energy: 1.363 local terms energy: -80.950011 where: bonds (distance) C4'-P energy: -14.079 bonds (distance) P-C4' energy: -17.376 flat angles C4'-P-C4' energy: -18.988 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -19.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -283.829943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.829943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.829943 (E_RNA) where: Base-Base interactions energy: -200.410 where: short stacking energy: -79.437 Base-Backbone interact. energy: -0.831 local terms energy: -82.588615 where: bonds (distance) C4'-P energy: -17.416 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -17.659 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -21.278 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: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -284.236523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.236523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.236523 (E_RNA) where: Base-Base interactions energy: -196.545 where: short stacking energy: -85.267 Base-Backbone interact. energy: -0.205 local terms energy: -87.486861 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -19.197 flat angles C4'-P-C4' energy: -18.433 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -21.059 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: 469 Temperature: 1.050000 Total energy: -275.403649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.403649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.403649 (E_RNA) where: Base-Base interactions energy: -195.690 where: short stacking energy: -79.037 Base-Backbone interact. energy: -0.401 local terms energy: -79.312399 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -17.864 flat angles C4'-P-C4' energy: -17.660 flat angles P-C4'-P energy: -12.051 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -267.482840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.482840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.482840 (E_RNA) where: Base-Base interactions energy: -188.204 where: short stacking energy: -75.591 Base-Backbone interact. energy: -2.536 local terms energy: -76.742890 where: bonds (distance) C4'-P energy: -18.145 bonds (distance) P-C4' energy: -15.655 flat angles C4'-P-C4' energy: -16.519 flat angles P-C4'-P energy: -11.958 tors. eta vs tors. theta energy: -14.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -243.125766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.125766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.125766 (E_RNA) where: Base-Base interactions energy: -167.364 where: short stacking energy: -63.135 Base-Backbone interact. energy: -1.064 local terms energy: -74.697366 where: bonds (distance) C4'-P energy: -16.658 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -17.816 flat angles P-C4'-P energy: -9.454 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -215.848322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.848322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.848322 (E_RNA) where: Base-Base interactions energy: -151.020 where: short stacking energy: -77.517 Base-Backbone interact. energy: -0.024 local terms energy: -64.803857 where: bonds (distance) C4'-P energy: -8.316 bonds (distance) P-C4' energy: -13.403 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -19.393 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: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -205.527590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.527590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.527590 (E_RNA) where: Base-Base interactions energy: -131.948 where: short stacking energy: -61.826 Base-Backbone interact. energy: -0.095 local terms energy: -73.484598 where: bonds (distance) C4'-P energy: -17.689 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -13.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -212.951185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.951185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.951185 (E_RNA) where: Base-Base interactions energy: -148.628 where: short stacking energy: -75.572 Base-Backbone interact. energy: -0.004 local terms energy: -64.318456 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -12.293 tors. eta vs tors. theta energy: -17.371 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: 469 Temperature: 1.350000 Total energy: -101.667292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.667292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.667292 (E_RNA) where: Base-Base interactions energy: -48.050 where: short stacking energy: -35.795 Base-Backbone interact. energy: -0.113 local terms energy: -53.504787 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -285.363679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.363679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.363679 (E_RNA) where: Base-Base interactions energy: -196.022 where: short stacking energy: -91.905 Base-Backbone interact. energy: -0.266 local terms energy: -89.075357 where: bonds (distance) C4'-P energy: -17.881 bonds (distance) P-C4' energy: -17.547 flat angles C4'-P-C4' energy: -18.809 flat angles P-C4'-P energy: -15.823 tors. eta vs tors. theta energy: -19.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -280.175029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.175029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.175029 (E_RNA) where: Base-Base interactions energy: -199.607 where: short stacking energy: -87.044 Base-Backbone interact. energy: -0.150 local terms energy: -80.418602 where: bonds (distance) C4'-P energy: -17.714 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -16.339 flat angles P-C4'-P energy: -12.972 tors. eta vs tors. theta energy: -17.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -273.932221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.932221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.932221 (E_RNA) where: Base-Base interactions energy: -191.830 where: short stacking energy: -77.321 Base-Backbone interact. energy: -0.617 local terms energy: -81.485911 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -19.215 flat angles P-C4'-P energy: -12.955 tors. eta vs tors. theta energy: -21.430 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: 4, replica: 4 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -273.766338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.766338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.766338 (E_RNA) where: Base-Base interactions energy: -198.785 where: short stacking energy: -79.281 Base-Backbone interact. energy: 0.075 local terms energy: -75.056765 where: bonds (distance) C4'-P energy: -14.501 bonds (distance) P-C4' energy: -14.450 flat angles C4'-P-C4' energy: -15.883 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -20.440 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: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -255.301714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -255.301714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -255.301714 (E_RNA) where: Base-Base interactions energy: -183.758 where: short stacking energy: -69.532 Base-Backbone interact. energy: -0.517 local terms energy: -71.026632 where: bonds (distance) C4'-P energy: -16.241 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -16.574 flat angles P-C4'-P energy: -11.310 tors. eta vs tors. theta energy: -11.783 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: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -252.898784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -252.898784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -252.898784 (E_RNA) where: Base-Base interactions energy: -177.209 where: short stacking energy: -62.739 Base-Backbone interact. energy: -2.863 local terms energy: -72.826308 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -16.239 flat angles P-C4'-P energy: -13.028 tors. eta vs tors. theta energy: -16.409 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: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -214.865312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.865312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.865312 (E_RNA) where: Base-Base interactions energy: -146.810 where: short stacking energy: -77.364 Base-Backbone interact. energy: -0.740 local terms energy: -67.315518 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -16.601 flat angles C4'-P-C4' energy: -11.111 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -18.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -194.793390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.793390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.793390 (E_RNA) where: Base-Base interactions energy: -144.631 where: short stacking energy: -60.985 Base-Backbone interact. energy: 0.903 local terms energy: -51.065340 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -13.087 flat angles C4'-P-C4' energy: -15.694 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -9.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -197.395788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.395788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.395788 (E_RNA) where: Base-Base interactions energy: -131.940 where: short stacking energy: -55.836 Base-Backbone interact. energy: -0.541 local terms energy: -64.914826 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -17.678 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -9.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -95.512651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.512651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.512651 (E_RNA) where: Base-Base interactions energy: -40.351 where: short stacking energy: -30.938 Base-Backbone interact. energy: -0.017 local terms energy: -55.145100 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -10.323 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: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -284.521443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.521443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.521443 (E_RNA) where: Base-Base interactions energy: -203.174 where: short stacking energy: -91.363 Base-Backbone interact. energy: -0.095 local terms energy: -81.252221 where: bonds (distance) C4'-P energy: -17.697 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -19.074 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -17.268 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: 7 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -283.252090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.252090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.252090 (E_RNA) where: Base-Base interactions energy: -207.361 where: short stacking energy: -89.989 Base-Backbone interact. energy: -1.235 local terms energy: -74.655501 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -16.194 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -20.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -274.363760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.363760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.363760 (E_RNA) where: Base-Base interactions energy: -190.455 where: short stacking energy: -82.441 Base-Backbone interact. energy: -0.189 local terms energy: -83.719095 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -17.328 flat angles P-C4'-P energy: -14.028 tors. eta vs tors. theta energy: -19.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -264.879239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.879239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.879239 (E_RNA) where: Base-Base interactions energy: -200.396 where: short stacking energy: -77.172 Base-Backbone interact. energy: -0.582 local terms energy: -63.900481 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -14.492 flat angles C4'-P-C4' energy: -15.117 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -13.563 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: 471 Temperature: 1.100000 Total energy: -265.768514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.768514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.768514 (E_RNA) where: Base-Base interactions energy: -193.818 where: short stacking energy: -76.438 Base-Backbone interact. energy: -0.274 local terms energy: -71.675705 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -16.089 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -14.664 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: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -256.146575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.146575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.146575 (E_RNA) where: Base-Base interactions energy: -175.421 where: short stacking energy: -65.250 Base-Backbone interact. energy: -0.173 local terms energy: -80.551959 where: bonds (distance) C4'-P energy: -16.377 bonds (distance) P-C4' energy: -19.811 flat angles C4'-P-C4' energy: -16.017 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -16.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -217.357736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.357736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.357736 (E_RNA) where: Base-Base interactions energy: -142.116 where: short stacking energy: -69.896 Base-Backbone interact. energy: -0.015 local terms energy: -75.226686 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -18.196 flat angles C4'-P-C4' energy: -19.893 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -15.616 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: 8, replica: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -202.259217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.259217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.259217 (E_RNA) where: Base-Base interactions energy: -139.635 where: short stacking energy: -62.068 Base-Backbone interact. energy: -0.175 local terms energy: -62.449156 where: bonds (distance) C4'-P energy: -14.282 bonds (distance) P-C4' energy: -12.491 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -13.153 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: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -191.363975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.363975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.363975 (E_RNA) where: Base-Base interactions energy: -136.627 where: short stacking energy: -58.896 Base-Backbone interact. energy: -0.094 local terms energy: -54.642645 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -1.129 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: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -97.712012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.712012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.712012 (E_RNA) where: Base-Base interactions energy: -43.227 where: short stacking energy: -39.482 Base-Backbone interact. energy: -0.152 local terms energy: -54.332894 where: bonds (distance) C4'-P energy: -17.516 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -292.008764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.008764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.008764 (E_RNA) where: Base-Base interactions energy: -208.158 where: short stacking energy: -87.508 Base-Backbone interact. energy: 0.682 local terms energy: -84.532876 where: bonds (distance) C4'-P energy: -16.601 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -20.221 flat angles P-C4'-P energy: -15.155 tors. eta vs tors. theta energy: -18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -280.193510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.193510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.193510 (E_RNA) where: Base-Base interactions energy: -199.230 where: short stacking energy: -84.928 Base-Backbone interact. energy: -1.108 local terms energy: -79.854976 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -18.036 flat angles C4'-P-C4' energy: -17.448 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -20.486 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: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -268.176015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.176015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.176015 (E_RNA) where: Base-Base interactions energy: -200.213 where: short stacking energy: -76.263 Base-Backbone interact. energy: 1.250 local terms energy: -69.212934 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -17.816 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -276.945403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.945403 (E_RNA) where: Base-Base interactions energy: -201.488 where: short stacking energy: -86.033 Base-Backbone interact. energy: 0.580 local terms energy: -76.038212 where: bonds (distance) C4'-P energy: -9.526 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -17.389 flat angles P-C4'-P energy: -14.228 tors. eta vs tors. theta energy: -20.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -273.915035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.915035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.915035 (E_RNA) where: Base-Base interactions energy: -202.419 where: short stacking energy: -90.607 Base-Backbone interact. energy: -0.104 local terms energy: -71.392381 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -17.201 flat angles C4'-P-C4' energy: -17.098 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -18.655 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: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -268.724544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.724544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.724544 (E_RNA) where: Base-Base interactions energy: -199.555 where: short stacking energy: -79.564 Base-Backbone interact. energy: -0.151 local terms energy: -69.018648 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -199.427852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.427852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.427852 (E_RNA) where: Base-Base interactions energy: -132.828 where: short stacking energy: -68.939 Base-Backbone interact. energy: -0.079 local terms energy: -66.520429 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -15.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -212.559506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.559506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.559506 (E_RNA) where: Base-Base interactions energy: -140.666 where: short stacking energy: -69.513 Base-Backbone interact. energy: -0.032 local terms energy: -71.860963 where: bonds (distance) C4'-P energy: -10.499 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -16.159 flat angles P-C4'-P energy: -12.318 tors. eta vs tors. theta energy: -17.412 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: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -203.447200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.447200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.447200 (E_RNA) where: Base-Base interactions energy: -149.093 where: short stacking energy: -70.616 Base-Backbone interact. energy: -0.033 local terms energy: -54.320828 where: bonds (distance) C4'-P energy: -9.763 bonds (distance) P-C4' energy: -6.962 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -18.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -90.498645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.498645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.498645 (E_RNA) where: Base-Base interactions energy: -40.494 where: short stacking energy: -38.808 Base-Backbone interact. energy: -0.345 local terms energy: -49.660107 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -6.344 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: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -286.500619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.500619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.500619 (E_RNA) where: Base-Base interactions energy: -201.815 where: short stacking energy: -86.529 Base-Backbone interact. energy: -0.106 local terms energy: -84.579807 where: bonds (distance) C4'-P energy: -18.414 bonds (distance) P-C4' energy: -17.036 flat angles C4'-P-C4' energy: -16.965 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -20.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -285.587193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.587193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.587193 (E_RNA) where: Base-Base interactions energy: -197.399 where: short stacking energy: -81.780 Base-Backbone interact. energy: -0.500 local terms energy: -87.688389 where: bonds (distance) C4'-P energy: -17.230 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -18.048 flat angles P-C4'-P energy: -12.752 tors. eta vs tors. theta energy: -22.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -273.018362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.018362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.018362 (E_RNA) where: Base-Base interactions energy: -190.025 where: short stacking energy: -72.813 Base-Backbone interact. energy: 0.237 local terms energy: -83.231128 where: bonds (distance) C4'-P energy: -18.671 bonds (distance) P-C4' energy: -16.931 flat angles C4'-P-C4' energy: -18.224 flat angles P-C4'-P energy: -12.654 tors. eta vs tors. theta energy: -16.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -259.537778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.537778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.537778 (E_RNA) where: Base-Base interactions energy: -193.840 where: short stacking energy: -83.232 Base-Backbone interact. energy: -0.634 local terms energy: -65.064303 where: bonds (distance) C4'-P energy: -10.188 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -17.014 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -268.792448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.792448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.792448 (E_RNA) where: Base-Base interactions energy: -195.245 where: short stacking energy: -83.028 Base-Backbone interact. energy: -0.128 local terms energy: -73.419274 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -15.459 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -19.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -266.395758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.395758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.395758 (E_RNA) where: Base-Base interactions energy: -180.986 where: short stacking energy: -73.059 Base-Backbone interact. energy: -1.412 local terms energy: -83.997170 where: bonds (distance) C4'-P energy: -15.047 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -16.347 flat angles P-C4'-P energy: -13.302 tors. eta vs tors. theta energy: -22.382 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: 9 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -218.875704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.875704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.875704 (E_RNA) where: Base-Base interactions energy: -154.060 where: short stacking energy: -70.832 Base-Backbone interact. energy: -0.131 local terms energy: -64.684253 where: bonds (distance) C4'-P energy: -16.245 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -17.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -207.341535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.341535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.341535 (E_RNA) where: Base-Base interactions energy: -134.895 where: short stacking energy: -67.080 Base-Backbone interact. energy: -0.624 local terms energy: -71.822065 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -20.001 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -11.444 tors. eta vs tors. theta energy: -11.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -203.298377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.298377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.298377 (E_RNA) where: Base-Base interactions energy: -132.381 where: short stacking energy: -62.865 Base-Backbone interact. energy: -0.321 local terms energy: -70.596531 where: bonds (distance) C4'-P energy: -16.679 bonds (distance) P-C4' energy: -16.928 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -14.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -102.692959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.692959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.692959 (E_RNA) where: Base-Base interactions energy: -48.578 where: short stacking energy: -45.986 Base-Backbone interact. energy: -0.087 local terms energy: -54.028106 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -7.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -290.633666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.633666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.633666 (E_RNA) where: Base-Base interactions energy: -206.890 where: short stacking energy: -87.897 Base-Backbone interact. energy: -0.045 local terms energy: -83.698528 where: bonds (distance) C4'-P energy: -15.951 bonds (distance) P-C4' energy: -16.934 flat angles C4'-P-C4' energy: -17.326 flat angles P-C4'-P energy: -13.804 tors. eta vs tors. theta energy: -19.684 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: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -286.385018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.385018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.385018 (E_RNA) where: Base-Base interactions energy: -201.685 where: short stacking energy: -84.765 Base-Backbone interact. energy: -0.669 local terms energy: -84.031362 where: bonds (distance) C4'-P energy: -17.983 bonds (distance) P-C4' energy: -19.507 flat angles C4'-P-C4' energy: -17.752 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -18.278 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: 5 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -276.829360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.829360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.829360 (E_RNA) where: Base-Base interactions energy: -198.381 where: short stacking energy: -83.942 Base-Backbone interact. energy: -0.510 local terms energy: -77.938591 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -18.601 flat angles P-C4'-P energy: -11.131 tors. eta vs tors. theta energy: -21.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -263.014712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.014712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.014712 (E_RNA) where: Base-Base interactions energy: -189.342 where: short stacking energy: -73.177 Base-Backbone interact. energy: 0.016 local terms energy: -73.689083 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -17.084 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -18.067 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: 10 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -268.152431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.152431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.152431 (E_RNA) where: Base-Base interactions energy: -189.459 where: short stacking energy: -75.604 Base-Backbone interact. energy: -1.031 local terms energy: -77.662614 where: bonds (distance) C4'-P energy: -16.811 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -16.185 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -19.970 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: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -263.367046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.367046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.367046 (E_RNA) where: Base-Base interactions energy: -189.960 where: short stacking energy: -76.930 Base-Backbone interact. energy: -0.342 local terms energy: -73.064245 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -17.001 flat angles C4'-P-C4' energy: -17.350 flat angles P-C4'-P energy: -10.292 tors. eta vs tors. theta energy: -17.377 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: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -208.254861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.254861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.254861 (E_RNA) where: Base-Base interactions energy: -140.676 where: short stacking energy: -73.831 Base-Backbone interact. energy: 1.609 local terms energy: -69.188268 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -19.349 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -15.563 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: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -210.245839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.245839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.245839 (E_RNA) where: Base-Base interactions energy: -144.555 where: short stacking energy: -65.567 Base-Backbone interact. energy: -0.055 local terms energy: -65.636357 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -12.994 flat angles C4'-P-C4' energy: -15.366 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -16.674 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: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -198.082198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.082198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.082198 (E_RNA) where: Base-Base interactions energy: -134.516 where: short stacking energy: -61.073 Base-Backbone interact. energy: -0.093 local terms energy: -63.473366 where: bonds (distance) C4'-P energy: -12.532 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -14.237 tors. eta vs tors. theta energy: -14.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -117.406714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.406714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.406714 (E_RNA) where: Base-Base interactions energy: -65.532 where: short stacking energy: -33.404 Base-Backbone interact. energy: 0.609 local terms energy: -52.483910 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -289.974935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.974935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.974935 (E_RNA) where: Base-Base interactions energy: -202.266 where: short stacking energy: -85.242 Base-Backbone interact. energy: -1.078 local terms energy: -86.631155 where: bonds (distance) C4'-P energy: -18.451 bonds (distance) P-C4' energy: -17.256 flat angles C4'-P-C4' energy: -17.194 flat angles P-C4'-P energy: -14.510 tors. eta vs tors. theta energy: -19.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -280.776955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.776955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.776955 (E_RNA) where: Base-Base interactions energy: -199.368 where: short stacking energy: -77.247 Base-Backbone interact. energy: -1.991 local terms energy: -79.417501 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -18.768 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -18.368 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: 5 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -271.577659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.577659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.577659 (E_RNA) where: Base-Base interactions energy: -193.896 where: short stacking energy: -86.040 Base-Backbone interact. energy: -0.131 local terms energy: -77.550820 where: bonds (distance) C4'-P energy: -15.478 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -15.843 flat angles P-C4'-P energy: -12.586 tors. eta vs tors. theta energy: -19.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -276.286659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.286659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.286659 (E_RNA) where: Base-Base interactions energy: -190.988 where: short stacking energy: -84.234 Base-Backbone interact. energy: -0.265 local terms energy: -85.034159 where: bonds (distance) C4'-P energy: -18.903 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -19.224 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -22.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -268.095654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.095654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.095654 (E_RNA) where: Base-Base interactions energy: -188.253 where: short stacking energy: -73.148 Base-Backbone interact. energy: -0.059 local terms energy: -79.783982 where: bonds (distance) C4'-P energy: -17.421 bonds (distance) P-C4' energy: -17.574 flat angles C4'-P-C4' energy: -17.302 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -16.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -262.104553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.104553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.104553 (E_RNA) where: Base-Base interactions energy: -186.261 where: short stacking energy: -80.342 Base-Backbone interact. energy: -0.556 local terms energy: -75.288217 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -16.635 flat angles P-C4'-P energy: -10.877 tors. eta vs tors. theta energy: -19.855 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -207.640277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.640277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.640277 (E_RNA) where: Base-Base interactions energy: -139.982 where: short stacking energy: -60.039 Base-Backbone interact. energy: -0.004 local terms energy: -67.654371 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -18.489 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -5.812 tors. eta vs tors. theta energy: -14.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -206.377906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.377906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.377906 (E_RNA) where: Base-Base interactions energy: -137.080 where: short stacking energy: -67.463 Base-Backbone interact. energy: -0.085 local terms energy: -69.212651 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -15.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -223.954965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.954965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.954965 (E_RNA) where: Base-Base interactions energy: -153.938 where: short stacking energy: -59.665 Base-Backbone interact. energy: -0.091 local terms energy: -69.925922 where: bonds (distance) C4'-P energy: -16.315 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -12.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -103.794165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.794165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.794165 (E_RNA) where: Base-Base interactions energy: -46.738 where: short stacking energy: -46.738 Base-Backbone interact. energy: 0.302 local terms energy: -57.358427 where: bonds (distance) C4'-P energy: -15.457 bonds (distance) P-C4' energy: -16.113 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -7.180 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: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -287.001253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.001253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.001253 (E_RNA) where: Base-Base interactions energy: -206.660 where: short stacking energy: -85.142 Base-Backbone interact. energy: -0.711 local terms energy: -79.630529 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -18.474 flat angles C4'-P-C4' energy: -19.440 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -20.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -280.947572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.947572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.947572 (E_RNA) where: Base-Base interactions energy: -198.270 where: short stacking energy: -86.921 Base-Backbone interact. energy: -1.996 local terms energy: -80.681912 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -17.796 flat angles P-C4'-P energy: -14.911 tors. eta vs tors. theta energy: -19.722 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: 3, replica: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -279.464697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.464697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.464697 (E_RNA) where: Base-Base interactions energy: -201.977 where: short stacking energy: -82.994 Base-Backbone interact. energy: -0.104 local terms energy: -77.384071 where: bonds (distance) C4'-P energy: -15.718 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -17.495 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -18.898 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: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -279.089449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.089449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.089449 (E_RNA) where: Base-Base interactions energy: -191.057 where: short stacking energy: -71.568 Base-Backbone interact. energy: -1.407 local terms energy: -86.625846 where: bonds (distance) C4'-P energy: -18.025 bonds (distance) P-C4' energy: -19.123 flat angles C4'-P-C4' energy: -17.399 flat angles P-C4'-P energy: -14.097 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -265.050222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.050222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.050222 (E_RNA) where: Base-Base interactions energy: -188.009 where: short stacking energy: -76.148 Base-Backbone interact. energy: -0.099 local terms energy: -76.941672 where: bonds (distance) C4'-P energy: -16.783 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -8.312 tors. eta vs tors. theta energy: -19.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -261.549508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.549508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.549508 (E_RNA) where: Base-Base interactions energy: -190.036 where: short stacking energy: -82.809 Base-Backbone interact. energy: -0.684 local terms energy: -70.829004 where: bonds (distance) C4'-P energy: -15.306 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -7.550 tors. eta vs tors. theta energy: -16.720 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: 3 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -204.648366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.648366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.648366 (E_RNA) where: Base-Base interactions energy: -132.056 where: short stacking energy: -65.932 Base-Backbone interact. energy: -0.042 local terms energy: -72.549704 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -12.885 tors. eta vs tors. theta energy: -11.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -210.436213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.436213 (E_RNA) where: Base-Base interactions energy: -145.227 where: short stacking energy: -65.561 Base-Backbone interact. energy: -1.617 local terms energy: -63.592078 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -17.477 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -14.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -127.439585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.439585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.439585 (E_RNA) where: Base-Base interactions energy: -66.397 where: short stacking energy: -43.404 Base-Backbone interact. energy: -0.264 local terms energy: -60.778684 where: bonds (distance) C4'-P energy: -15.925 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -14.979 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -200.278692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.278692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.278692 (E_RNA) where: Base-Base interactions energy: -136.069 where: short stacking energy: -62.253 Base-Backbone interact. energy: -0.104 local terms energy: -64.105457 where: bonds (distance) C4'-P energy: -14.288 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -18.247 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -8.867 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: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -284.203299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.203299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.203299 (E_RNA) where: Base-Base interactions energy: -206.348 where: short stacking energy: -88.016 Base-Backbone interact. energy: 0.433 local terms energy: -78.287955 where: bonds (distance) C4'-P energy: -15.790 bonds (distance) P-C4' energy: -17.286 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -20.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -281.275608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.275608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.275608 (E_RNA) where: Base-Base interactions energy: -198.500 where: short stacking energy: -83.311 Base-Backbone interact. energy: -1.215 local terms energy: -81.561258 where: bonds (distance) C4'-P energy: -17.868 bonds (distance) P-C4' energy: -18.326 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -18.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -283.547587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.547587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.547587 (E_RNA) where: Base-Base interactions energy: -203.058 where: short stacking energy: -86.780 Base-Backbone interact. energy: -0.003 local terms energy: -80.486517 where: bonds (distance) C4'-P energy: -17.304 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -18.149 flat angles P-C4'-P energy: -13.463 tors. eta vs tors. theta energy: -18.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -275.849004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.849004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.849004 (E_RNA) where: Base-Base interactions energy: -192.422 where: short stacking energy: -79.027 Base-Backbone interact. energy: -0.275 local terms energy: -83.152615 where: bonds (distance) C4'-P energy: -16.238 bonds (distance) P-C4' energy: -18.139 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -12.941 tors. eta vs tors. theta energy: -20.470 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: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -268.560897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.560897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.560897 (E_RNA) where: Base-Base interactions energy: -197.234 where: short stacking energy: -82.159 Base-Backbone interact. energy: -0.677 local terms energy: -70.649654 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -20.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -214.048897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.048897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.048897 (E_RNA) where: Base-Base interactions energy: -134.447 where: short stacking energy: -62.247 Base-Backbone interact. energy: -0.000 local terms energy: -79.601449 where: bonds (distance) C4'-P energy: -16.758 bonds (distance) P-C4' energy: -18.820 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -12.084 tors. eta vs tors. theta energy: -16.970 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: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -257.157253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.157253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.157253 (E_RNA) where: Base-Base interactions energy: -189.133 where: short stacking energy: -72.833 Base-Backbone interact. energy: 0.281 local terms energy: -68.305103 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -13.210 flat angles C4'-P-C4' energy: -17.494 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -15.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -203.959946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.959946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.959946 (E_RNA) where: Base-Base interactions energy: -131.104 where: short stacking energy: -53.150 Base-Backbone interact. energy: -0.131 local terms energy: -72.724826 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -148.404532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.404532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.404532 (E_RNA) where: Base-Base interactions energy: -85.567 where: short stacking energy: -49.889 Base-Backbone interact. energy: -0.528 local terms energy: -62.309822 where: bonds (distance) C4'-P energy: -16.419 bonds (distance) P-C4' energy: -14.549 flat angles C4'-P-C4' energy: -11.436 flat angles P-C4'-P energy: -12.406 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -208.510105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.510105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.510105 (E_RNA) where: Base-Base interactions energy: -136.203 where: short stacking energy: -58.392 Base-Backbone interact. energy: -0.038 local terms energy: -72.268688 where: bonds (distance) C4'-P energy: -17.209 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -12.622 tors. eta vs tors. theta energy: -14.647 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: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -285.348511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.348511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.348511 (E_RNA) where: Base-Base interactions energy: -205.319 where: short stacking energy: -90.750 Base-Backbone interact. energy: -1.246 local terms energy: -78.783473 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -19.281 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -19.028 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: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -284.534672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.534672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.534672 (E_RNA) where: Base-Base interactions energy: -208.187 where: short stacking energy: -85.330 Base-Backbone interact. energy: -0.584 local terms energy: -75.763855 where: bonds (distance) C4'-P energy: -16.579 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -8.229 tors. eta vs tors. theta energy: -18.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -276.411487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.411487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.411487 (E_RNA) where: Base-Base interactions energy: -200.349 where: short stacking energy: -82.293 Base-Backbone interact. energy: -0.106 local terms energy: -75.956723 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -15.152 flat angles C4'-P-C4' energy: -20.047 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -20.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -276.811562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.811562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.811562 (E_RNA) where: Base-Base interactions energy: -194.240 where: short stacking energy: -81.813 Base-Backbone interact. energy: -0.371 local terms energy: -82.200940 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -18.103 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -21.591 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: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -266.268837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.268837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.268837 (E_RNA) where: Base-Base interactions energy: -190.418 where: short stacking energy: -80.109 Base-Backbone interact. energy: -0.126 local terms energy: -75.724028 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -18.256 flat angles C4'-P-C4' energy: -17.620 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -20.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -214.403304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.403304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.403304 (E_RNA) where: Base-Base interactions energy: -135.808 where: short stacking energy: -67.042 Base-Backbone interact. energy: 1.624 local terms energy: -80.219106 where: bonds (distance) C4'-P energy: -16.692 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -14.157 tors. eta vs tors. theta energy: -17.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -262.705543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -262.705543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -262.705543 (E_RNA) where: Base-Base interactions energy: -188.610 where: short stacking energy: -80.171 Base-Backbone interact. energy: -0.381 local terms energy: -73.714147 where: bonds (distance) C4'-P energy: -17.912 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -19.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -210.642552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.642552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.642552 (E_RNA) where: Base-Base interactions energy: -136.722 where: short stacking energy: -61.867 Base-Backbone interact. energy: -0.019 local terms energy: -73.901910 where: bonds (distance) C4'-P energy: -16.792 bonds (distance) P-C4' energy: -17.756 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -11.671 tors. eta vs tors. theta energy: -14.107 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: 9, replica: 1 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -145.251177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.251177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.251177 (E_RNA) where: Base-Base interactions energy: -86.953 where: short stacking energy: -46.085 Base-Backbone interact. energy: 1.015 local terms energy: -59.312893 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -10.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -180.809464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.809464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.809464 (E_RNA) where: Base-Base interactions energy: -120.993 where: short stacking energy: -53.794 Base-Backbone interact. energy: -0.210 local terms energy: -59.605929 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -8.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -286.306986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.306986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.306986 (E_RNA) where: Base-Base interactions energy: -205.490 where: short stacking energy: -86.357 Base-Backbone interact. energy: -2.136 local terms energy: -78.680894 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -18.112 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -281.611912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.611912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.611912 (E_RNA) where: Base-Base interactions energy: -202.567 where: short stacking energy: -88.030 Base-Backbone interact. energy: -0.382 local terms energy: -78.663338 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -17.734 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -19.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -280.979921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.979921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.979921 (E_RNA) where: Base-Base interactions energy: -197.090 where: short stacking energy: -83.595 Base-Backbone interact. energy: -0.409 local terms energy: -83.480413 where: bonds (distance) C4'-P energy: -16.708 bonds (distance) P-C4' energy: -17.067 flat angles C4'-P-C4' energy: -17.895 flat angles P-C4'-P energy: -12.452 tors. eta vs tors. theta energy: -19.359 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: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -276.695929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.695929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.695929 (E_RNA) where: Base-Base interactions energy: -196.626 where: short stacking energy: -76.564 Base-Backbone interact. energy: -0.863 local terms energy: -79.206785 where: bonds (distance) C4'-P energy: -17.813 bonds (distance) P-C4' energy: -14.956 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -19.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -266.111884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.111884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.111884 (E_RNA) where: Base-Base interactions energy: -188.960 where: short stacking energy: -87.593 Base-Backbone interact. energy: -0.072 local terms energy: -77.079758 where: bonds (distance) C4'-P energy: -15.081 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -16.186 flat angles P-C4'-P energy: -13.329 tors. eta vs tors. theta energy: -18.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -258.979939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.979939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.979939 (E_RNA) where: Base-Base interactions energy: -182.037 where: short stacking energy: -77.749 Base-Backbone interact. energy: -0.250 local terms energy: -76.692271 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -17.153 flat angles C4'-P-C4' energy: -15.639 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -20.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -211.679370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.679370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.679370 (E_RNA) where: Base-Base interactions energy: -146.604 where: short stacking energy: -72.520 Base-Backbone interact. energy: -0.675 local terms energy: -64.400131 where: bonds (distance) C4'-P energy: -15.973 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -15.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -213.091109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.091109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.091109 (E_RNA) where: Base-Base interactions energy: -141.425 where: short stacking energy: -67.713 Base-Backbone interact. energy: -0.017 local terms energy: -71.649109 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -17.192 flat angles C4'-P-C4' energy: -16.255 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -16.469 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: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -121.964969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.964969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.964969 (E_RNA) where: Base-Base interactions energy: -72.325 where: short stacking energy: -39.328 Base-Backbone interact. energy: -0.179 local terms energy: -49.461470 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -14.125 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -183.308149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.308149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.308149 (E_RNA) where: Base-Base interactions energy: -120.856 where: short stacking energy: -55.324 Base-Backbone interact. energy: -0.187 local terms energy: -62.265608 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -18.419 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -9.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -283.474551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.474551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.474551 (E_RNA) where: Base-Base interactions energy: -200.336 where: short stacking energy: -86.140 Base-Backbone interact. energy: -0.098 local terms energy: -83.040685 where: bonds (distance) C4'-P energy: -17.529 bonds (distance) P-C4' energy: -15.203 flat angles C4'-P-C4' energy: -18.893 flat angles P-C4'-P energy: -12.163 tors. eta vs tors. theta energy: -19.252 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: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -279.348764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.348764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.348764 (E_RNA) where: Base-Base interactions energy: -203.674 where: short stacking energy: -86.700 Base-Backbone interact. energy: -0.497 local terms energy: -75.177924 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -20.239 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -18.385 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: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -279.475464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.475464 (E_RNA) where: Base-Base interactions energy: -209.332 where: short stacking energy: -84.778 Base-Backbone interact. energy: -0.614 local terms energy: -69.529873 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -19.045 flat angles P-C4'-P energy: -8.175 tors. eta vs tors. theta energy: -20.285 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: 7 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -275.614068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.614068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.614068 (E_RNA) where: Base-Base interactions energy: -197.706 where: short stacking energy: -85.179 Base-Backbone interact. energy: -0.101 local terms energy: -77.806336 where: bonds (distance) C4'-P energy: -12.834 bonds (distance) P-C4' energy: -19.182 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -13.801 tors. eta vs tors. theta energy: -17.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -265.520607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.520607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.520607 (E_RNA) where: Base-Base interactions energy: -185.023 where: short stacking energy: -79.288 Base-Backbone interact. energy: -0.866 local terms energy: -79.630701 where: bonds (distance) C4'-P energy: -16.593 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -17.229 flat angles P-C4'-P energy: -12.728 tors. eta vs tors. theta energy: -19.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -261.191607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.191607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.191607 (E_RNA) where: Base-Base interactions energy: -190.140 where: short stacking energy: -72.552 Base-Backbone interact. energy: 0.112 local terms energy: -71.163189 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -18.728 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -16.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -216.380343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.380343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.380343 (E_RNA) where: Base-Base interactions energy: -153.494 where: short stacking energy: -64.924 Base-Backbone interact. energy: -0.340 local terms energy: -62.546410 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -10.627 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -15.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -207.728410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.728410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.728410 (E_RNA) where: Base-Base interactions energy: -144.266 where: short stacking energy: -66.107 Base-Backbone interact. energy: -0.244 local terms energy: -63.218440 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -194.005210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.005210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.005210 (E_RNA) where: Base-Base interactions energy: -125.783 where: short stacking energy: -55.487 Base-Backbone interact. energy: -0.502 local terms energy: -67.720318 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -18.182 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -10.124 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: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -113.378846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.378846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.378846 (E_RNA) where: Base-Base interactions energy: -66.192 where: short stacking energy: -30.797 Base-Backbone interact. energy: -0.426 local terms energy: -46.760235 where: bonds (distance) C4'-P energy: -9.505 bonds (distance) P-C4' energy: -16.580 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -6.613 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: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -287.199331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.199331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.199331 (E_RNA) where: Base-Base interactions energy: -203.930 where: short stacking energy: -91.414 Base-Backbone interact. energy: -1.274 local terms energy: -81.995502 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -18.441 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -23.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -279.472874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.472874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.472874 (E_RNA) where: Base-Base interactions energy: -200.816 where: short stacking energy: -84.800 Base-Backbone interact. energy: -0.524 local terms energy: -78.133517 where: bonds (distance) C4'-P energy: -18.332 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -17.938 flat angles P-C4'-P energy: -11.861 tors. eta vs tors. theta energy: -14.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -277.300336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.300336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.300336 (E_RNA) where: Base-Base interactions energy: -197.434 where: short stacking energy: -83.355 Base-Backbone interact. energy: -1.094 local terms energy: -78.772046 where: bonds (distance) C4'-P energy: -16.004 bonds (distance) P-C4' energy: -18.468 flat angles C4'-P-C4' energy: -16.519 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -18.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -274.269543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.269543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.269543 (E_RNA) where: Base-Base interactions energy: -196.888 where: short stacking energy: -83.315 Base-Backbone interact. energy: 2.636 local terms energy: -80.017668 where: bonds (distance) C4'-P energy: -19.428 bonds (distance) P-C4' energy: -15.655 flat angles C4'-P-C4' energy: -14.454 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -20.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -269.341295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.341295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.341295 (E_RNA) where: Base-Base interactions energy: -195.651 where: short stacking energy: -78.093 Base-Backbone interact. energy: -0.667 local terms energy: -73.023527 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -9.004 flat angles C4'-P-C4' energy: -17.248 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -19.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -223.861237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.861237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.861237 (E_RNA) where: Base-Base interactions energy: -150.364 where: short stacking energy: -71.439 Base-Backbone interact. energy: 0.283 local terms energy: -73.780615 where: bonds (distance) C4'-P energy: -16.775 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -12.928 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -20.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -258.304697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -258.304697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -258.304697 (E_RNA) where: Base-Base interactions energy: -180.741 where: short stacking energy: -72.671 Base-Backbone interact. energy: -0.393 local terms energy: -77.170988 where: bonds (distance) C4'-P energy: -19.383 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -16.436 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -18.829 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: 8 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -199.634934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.634934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.634934 (E_RNA) where: Base-Base interactions energy: -136.459 where: short stacking energy: -63.428 Base-Backbone interact. energy: -0.526 local terms energy: -62.650128 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -194.045808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.045808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.045808 (E_RNA) where: Base-Base interactions energy: -131.418 where: short stacking energy: -61.702 Base-Backbone interact. energy: -0.075 local terms energy: -62.553577 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -14.450 flat angles C4'-P-C4' energy: -12.282 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -102.960793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.960793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.960793 (E_RNA) where: Base-Base interactions energy: -41.166 where: short stacking energy: -40.088 Base-Backbone interact. energy: -0.152 local terms energy: -61.643406 where: bonds (distance) C4'-P energy: -15.533 bonds (distance) P-C4' energy: -15.664 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -282.900039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.900039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.900039 (E_RNA) where: Base-Base interactions energy: -203.595 where: short stacking energy: -81.382 Base-Backbone interact. energy: -0.098 local terms energy: -79.206376 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -17.942 flat angles C4'-P-C4' energy: -17.081 flat angles P-C4'-P energy: -13.190 tors. eta vs tors. theta energy: -17.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -277.043715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.043715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.043715 (E_RNA) where: Base-Base interactions energy: -202.594 where: short stacking energy: -85.246 Base-Backbone interact. energy: -1.067 local terms energy: -73.382883 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -12.498 tors. eta vs tors. theta energy: -19.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -275.036662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.036662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.036662 (E_RNA) where: Base-Base interactions energy: -201.798 where: short stacking energy: -80.037 Base-Backbone interact. energy: 1.765 local terms energy: -75.003880 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -16.334 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -21.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -269.633123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.633123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.633123 (E_RNA) where: Base-Base interactions energy: -184.182 where: short stacking energy: -70.762 Base-Backbone interact. energy: -0.218 local terms energy: -85.233492 where: bonds (distance) C4'-P energy: -17.103 bonds (distance) P-C4' energy: -17.322 flat angles C4'-P-C4' energy: -17.855 flat angles P-C4'-P energy: -12.917 tors. eta vs tors. theta energy: -20.037 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: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -268.301799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.301799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.301799 (E_RNA) where: Base-Base interactions energy: -195.803 where: short stacking energy: -77.852 Base-Backbone interact. energy: -0.687 local terms energy: -71.812302 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -16.112 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -218.838551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.838551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.838551 (E_RNA) where: Base-Base interactions energy: -150.816 where: short stacking energy: -74.891 Base-Backbone interact. energy: -0.085 local terms energy: -67.937140 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -17.826 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: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -256.916483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -256.916483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -256.916483 (E_RNA) where: Base-Base interactions energy: -178.453 where: short stacking energy: -69.313 Base-Backbone interact. energy: -0.097 local terms energy: -78.366416 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -18.737 flat angles C4'-P-C4' energy: -16.030 flat angles P-C4'-P energy: -12.958 tors. eta vs tors. theta energy: -16.488 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: 482 Temperature: 1.250000 Total energy: -201.046965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.046965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.046965 (E_RNA) where: Base-Base interactions energy: -131.500 where: short stacking energy: -61.926 Base-Backbone interact. energy: -0.550 local terms energy: -68.996489 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -14.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -187.746268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.746268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.746268 (E_RNA) where: Base-Base interactions energy: -125.634 where: short stacking energy: -64.563 Base-Backbone interact. energy: -0.029 local terms energy: -62.083297 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -7.375 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -16.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -91.995932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.995932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.995932 (E_RNA) where: Base-Base interactions energy: -47.729 where: short stacking energy: -40.190 Base-Backbone interact. energy: -0.183 local terms energy: -44.084611 where: bonds (distance) C4'-P energy: -7.796 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -3.902 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: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -288.875019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.875019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.875019 (E_RNA) where: Base-Base interactions energy: -200.646 where: short stacking energy: -84.537 Base-Backbone interact. energy: -1.220 local terms energy: -87.008450 where: bonds (distance) C4'-P energy: -17.553 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -19.376 flat angles P-C4'-P energy: -16.879 tors. eta vs tors. theta energy: -17.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -283.270648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.270648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.270648 (E_RNA) where: Base-Base interactions energy: -206.549 where: short stacking energy: -78.391 Base-Backbone interact. energy: 0.442 local terms energy: -77.164333 where: bonds (distance) C4'-P energy: -16.602 bonds (distance) P-C4' energy: -18.489 flat angles C4'-P-C4' energy: -14.606 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -18.502 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: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -276.618083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.618083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.618083 (E_RNA) where: Base-Base interactions energy: -194.388 where: short stacking energy: -85.633 Base-Backbone interact. energy: -0.134 local terms energy: -82.095967 where: bonds (distance) C4'-P energy: -17.517 bonds (distance) P-C4' energy: -18.260 flat angles C4'-P-C4' energy: -17.595 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -272.135502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.135502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.135502 (E_RNA) where: Base-Base interactions energy: -192.792 where: short stacking energy: -76.716 Base-Backbone interact. energy: -0.127 local terms energy: -79.216724 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -17.568 flat angles P-C4'-P energy: -13.326 tors. eta vs tors. theta energy: -19.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -271.854823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.854823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.854823 (E_RNA) where: Base-Base interactions energy: -201.677 where: short stacking energy: -87.903 Base-Backbone interact. energy: -0.103 local terms energy: -70.074733 where: bonds (distance) C4'-P energy: -16.755 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -20.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -259.544414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.544414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.544414 (E_RNA) where: Base-Base interactions energy: -183.692 where: short stacking energy: -74.304 Base-Backbone interact. energy: -0.188 local terms energy: -75.664036 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -17.799 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -17.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -215.500501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.500501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.500501 (E_RNA) where: Base-Base interactions energy: -145.279 where: short stacking energy: -66.680 Base-Backbone interact. energy: 2.104 local terms energy: -72.325284 where: bonds (distance) C4'-P energy: -15.434 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -11.418 tors. eta vs tors. theta energy: -12.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -179.426838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.426838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.426838 (E_RNA) where: Base-Base interactions energy: -114.366 where: short stacking energy: -64.949 Base-Backbone interact. energy: -0.033 local terms energy: -65.027420 where: bonds (distance) C4'-P energy: -17.048 bonds (distance) P-C4' energy: -12.217 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -10.838 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: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -189.954142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.954142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.954142 (E_RNA) where: Base-Base interactions energy: -119.283 where: short stacking energy: -59.442 Base-Backbone interact. energy: -0.699 local terms energy: -69.971952 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -18.133 flat angles C4'-P-C4' energy: -16.952 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -9.694 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: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -103.394158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.394158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.394158 (E_RNA) where: Base-Base interactions energy: -48.304 where: short stacking energy: -48.057 Base-Backbone interact. energy: -0.006 local terms energy: -55.083959 where: bonds (distance) C4'-P energy: -16.852 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -11.284 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -281.844014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.844014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.844014 (E_RNA) where: Base-Base interactions energy: -207.526 where: short stacking energy: -84.806 Base-Backbone interact. energy: 0.113 local terms energy: -74.430236 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -18.498 flat angles C4'-P-C4' energy: -16.699 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -21.034 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: 6 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -281.386797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.386797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.386797 (E_RNA) where: Base-Base interactions energy: -199.799 where: short stacking energy: -77.066 Base-Backbone interact. energy: -1.073 local terms energy: -80.514092 where: bonds (distance) C4'-P energy: -17.242 bonds (distance) P-C4' energy: -16.793 flat angles C4'-P-C4' energy: -17.090 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -19.917 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: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -287.158372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.158372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.158372 (E_RNA) where: Base-Base interactions energy: -206.239 where: short stacking energy: -85.910 Base-Backbone interact. energy: -0.486 local terms energy: -80.433113 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -18.475 flat angles P-C4'-P energy: -14.086 tors. eta vs tors. theta energy: -19.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -268.841270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.841270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.841270 (E_RNA) where: Base-Base interactions energy: -193.059 where: short stacking energy: -81.404 Base-Backbone interact. energy: -0.186 local terms energy: -75.596665 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -17.440 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -20.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -276.968885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.968885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.968885 (E_RNA) where: Base-Base interactions energy: -201.261 where: short stacking energy: -79.767 Base-Backbone interact. energy: -0.643 local terms energy: -75.064509 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -21.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -267.695164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.695164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.695164 (E_RNA) where: Base-Base interactions energy: -195.851 where: short stacking energy: -79.350 Base-Backbone interact. energy: -0.889 local terms energy: -70.954456 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -14.993 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -18.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -227.932198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.932198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.932198 (E_RNA) where: Base-Base interactions energy: -151.630 where: short stacking energy: -80.074 Base-Backbone interact. energy: -0.102 local terms energy: -76.200630 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -17.075 flat angles C4'-P-C4' energy: -17.831 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -20.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -177.715515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.715515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.715515 (E_RNA) where: Base-Base interactions energy: -122.567 where: short stacking energy: -52.453 Base-Backbone interact. energy: 1.064 local terms energy: -56.212419 where: bonds (distance) C4'-P energy: -13.715 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -10.176 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -190.692514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.692514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.692514 (E_RNA) where: Base-Base interactions energy: -130.462 where: short stacking energy: -58.089 Base-Backbone interact. energy: -0.449 local terms energy: -59.781460 where: bonds (distance) C4'-P energy: -9.522 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -9.461 flat angles P-C4'-P energy: -14.862 tors. eta vs tors. theta energy: -10.873 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: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -90.677080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.677080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.677080 (E_RNA) where: Base-Base interactions energy: -46.944 where: short stacking energy: -44.415 Base-Backbone interact. energy: -0.306 local terms energy: -43.426775 where: bonds (distance) C4'-P energy: -2.699 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -10.706 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: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -287.717901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.717901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.717901 (E_RNA) where: Base-Base interactions energy: -208.290 where: short stacking energy: -91.531 Base-Backbone interact. energy: -0.739 local terms energy: -78.688599 where: bonds (distance) C4'-P energy: -12.825 bonds (distance) P-C4' energy: -19.954 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -22.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -287.971572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.971572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.971572 (E_RNA) where: Base-Base interactions energy: -196.721 where: short stacking energy: -83.533 Base-Backbone interact. energy: -0.753 local terms energy: -90.497328 where: bonds (distance) C4'-P energy: -18.862 bonds (distance) P-C4' energy: -19.532 flat angles C4'-P-C4' energy: -20.344 flat angles P-C4'-P energy: -12.453 tors. eta vs tors. theta energy: -19.307 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -281.263139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.263139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.263139 (E_RNA) where: Base-Base interactions energy: -199.893 where: short stacking energy: -84.458 Base-Backbone interact. energy: -1.278 local terms energy: -80.092509 where: bonds (distance) C4'-P energy: -14.537 bonds (distance) P-C4' energy: -16.025 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -13.522 tors. eta vs tors. theta energy: -19.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -267.037558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.037558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.037558 (E_RNA) where: Base-Base interactions energy: -183.209 where: short stacking energy: -70.681 Base-Backbone interact. energy: -0.415 local terms energy: -83.414051 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -16.956 flat angles C4'-P-C4' energy: -17.369 flat angles P-C4'-P energy: -13.969 tors. eta vs tors. theta energy: -20.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -264.913988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.913988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.913988 (E_RNA) where: Base-Base interactions energy: -187.869 where: short stacking energy: -71.575 Base-Backbone interact. energy: -0.289 local terms energy: -76.755675 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -16.820 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -19.146 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: 2 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -273.861539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.861539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.861539 (E_RNA) where: Base-Base interactions energy: -196.497 where: short stacking energy: -83.567 Base-Backbone interact. energy: -0.059 local terms energy: -77.305810 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -16.748 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -14.228 tors. eta vs tors. theta energy: -19.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -203.884542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.884542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.884542 (E_RNA) where: Base-Base interactions energy: -138.272 where: short stacking energy: -58.408 Base-Backbone interact. energy: -0.085 local terms energy: -65.527023 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -13.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -219.105100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.105100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.105100 (E_RNA) where: Base-Base interactions energy: -149.197 where: short stacking energy: -73.607 Base-Backbone interact. energy: -0.080 local terms energy: -69.828126 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -11.008 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -22.674 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: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -187.023542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.023542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.023542 (E_RNA) where: Base-Base interactions energy: -126.514 where: short stacking energy: -57.862 Base-Backbone interact. energy: -0.626 local terms energy: -59.883395 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -100.500443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.500443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.500443 (E_RNA) where: Base-Base interactions energy: -42.665 where: short stacking energy: -35.359 Base-Backbone interact. energy: 0.324 local terms energy: -58.159483 where: bonds (distance) C4'-P energy: -9.948 bonds (distance) P-C4' energy: -16.568 flat angles C4'-P-C4' energy: -15.613 flat angles P-C4'-P energy: -10.331 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: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -286.941143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.941143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.941143 (E_RNA) where: Base-Base interactions energy: -206.387 where: short stacking energy: -86.288 Base-Backbone interact. energy: -1.441 local terms energy: -79.113661 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -18.272 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -11.982 tors. eta vs tors. theta energy: -19.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -290.281084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.281084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.281084 (E_RNA) where: Base-Base interactions energy: -203.716 where: short stacking energy: -80.914 Base-Backbone interact. energy: -0.149 local terms energy: -86.416061 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -17.508 flat angles C4'-P-C4' energy: -19.140 flat angles P-C4'-P energy: -13.594 tors. eta vs tors. theta energy: -21.358 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: 5 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -279.326949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.326949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.326949 (E_RNA) where: Base-Base interactions energy: -193.399 where: short stacking energy: -89.172 Base-Backbone interact. energy: -0.018 local terms energy: -85.910295 where: bonds (distance) C4'-P energy: -17.300 bonds (distance) P-C4' energy: -16.910 flat angles C4'-P-C4' energy: -19.970 flat angles P-C4'-P energy: -13.159 tors. eta vs tors. theta energy: -18.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -278.739682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.739682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.739682 (E_RNA) where: Base-Base interactions energy: -200.994 where: short stacking energy: -85.212 Base-Backbone interact. energy: -0.082 local terms energy: -77.664579 where: bonds (distance) C4'-P energy: -17.200 bonds (distance) P-C4' energy: -15.933 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -17.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -265.846263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.846263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.846263 (E_RNA) where: Base-Base interactions energy: -183.314 where: short stacking energy: -72.782 Base-Backbone interact. energy: -1.013 local terms energy: -81.519135 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -17.403 flat angles C4'-P-C4' energy: -18.131 flat angles P-C4'-P energy: -12.590 tors. eta vs tors. theta energy: -18.584 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: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -260.697265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.697265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.697265 (E_RNA) where: Base-Base interactions energy: -185.845 where: short stacking energy: -76.114 Base-Backbone interact. energy: -0.058 local terms energy: -74.794840 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -17.179 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -19.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -213.457109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.457109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.457109 (E_RNA) where: Base-Base interactions energy: -145.872 where: short stacking energy: -72.355 Base-Backbone interact. energy: -0.071 local terms energy: -67.513621 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -14.772 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -207.203392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.203392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.203392 (E_RNA) where: Base-Base interactions energy: -134.957 where: short stacking energy: -68.824 Base-Backbone interact. energy: 0.013 local terms energy: -72.259374 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -19.819 flat angles P-C4'-P energy: -13.595 tors. eta vs tors. theta energy: -16.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -195.696212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.696212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.696212 (E_RNA) where: Base-Base interactions energy: -126.778 where: short stacking energy: -61.590 Base-Backbone interact. energy: -0.046 local terms energy: -68.872100 where: bonds (distance) C4'-P energy: -17.541 bonds (distance) P-C4' energy: -18.614 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -16.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -104.695548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.695548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.695548 (E_RNA) where: Base-Base interactions energy: -54.550 where: short stacking energy: -35.820 Base-Backbone interact. energy: -0.290 local terms energy: -49.855001 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -6.893 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: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -279.547462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.547462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.547462 (E_RNA) where: Base-Base interactions energy: -200.872 where: short stacking energy: -84.471 Base-Backbone interact. energy: 0.642 local terms energy: -79.317489 where: bonds (distance) C4'-P energy: -19.226 bonds (distance) P-C4' energy: -14.840 flat angles C4'-P-C4' energy: -16.972 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -20.324 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: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -281.212160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.212160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.212160 (E_RNA) where: Base-Base interactions energy: -199.185 where: short stacking energy: -87.287 Base-Backbone interact. energy: -0.113 local terms energy: -81.914654 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -19.002 flat angles P-C4'-P energy: -11.293 tors. eta vs tors. theta energy: -20.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -282.163709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.163709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.163709 (E_RNA) where: Base-Base interactions energy: -203.449 where: short stacking energy: -83.435 Base-Backbone interact. energy: -0.150 local terms energy: -78.564908 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -16.673 flat angles P-C4'-P energy: -11.704 tors. eta vs tors. theta energy: -23.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -270.347654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.347654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.347654 (E_RNA) where: Base-Base interactions energy: -195.056 where: short stacking energy: -77.299 Base-Backbone interact. energy: -0.128 local terms energy: -75.163332 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -17.405 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -22.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -273.102932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.102932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.102932 (E_RNA) where: Base-Base interactions energy: -193.935 where: short stacking energy: -81.388 Base-Backbone interact. energy: -0.102 local terms energy: -79.065826 where: bonds (distance) C4'-P energy: -17.096 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -16.887 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -19.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -223.982598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.982598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.982598 (E_RNA) where: Base-Base interactions energy: -149.114 where: short stacking energy: -70.953 Base-Backbone interact. energy: -0.000 local terms energy: -74.868102 where: bonds (distance) C4'-P energy: -15.360 bonds (distance) P-C4' energy: -13.728 flat angles C4'-P-C4' energy: -17.942 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -19.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -251.741386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -251.741386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -251.741386 (E_RNA) where: Base-Base interactions energy: -179.625 where: short stacking energy: -77.757 Base-Backbone interact. energy: -0.396 local terms energy: -71.720500 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -17.278 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -11.803 tors. eta vs tors. theta energy: -15.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -204.154299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.154299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.154299 (E_RNA) where: Base-Base interactions energy: -147.438 where: short stacking energy: -75.318 Base-Backbone interact. energy: -1.021 local terms energy: -55.695132 where: bonds (distance) C4'-P energy: -9.007 bonds (distance) P-C4' energy: -9.940 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -16.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -191.895684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.895684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.895684 (E_RNA) where: Base-Base interactions energy: -143.380 where: short stacking energy: -67.372 Base-Backbone interact. energy: -0.140 local terms energy: -48.376204 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: 2.979 tors. eta vs tors. theta energy: -12.624 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: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -105.202943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.202943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.202943 (E_RNA) where: Base-Base interactions energy: -49.448 where: short stacking energy: -36.449 Base-Backbone interact. energy: -0.210 local terms energy: -55.544936 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -12.786 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -6.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -287.151361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.151361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.151361 (E_RNA) where: Base-Base interactions energy: -206.786 where: short stacking energy: -91.085 Base-Backbone interact. energy: 1.023 local terms energy: -81.388459 where: bonds (distance) C4'-P energy: -16.866 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -19.606 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -18.235 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: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -282.155724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.155724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.155724 (E_RNA) where: Base-Base interactions energy: -205.361 where: short stacking energy: -79.812 Base-Backbone interact. energy: -0.701 local terms energy: -76.094288 where: bonds (distance) C4'-P energy: -15.708 bonds (distance) P-C4' energy: -18.439 flat angles C4'-P-C4' energy: -16.436 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -16.437 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: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -272.657062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.657062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.657062 (E_RNA) where: Base-Base interactions energy: -201.896 where: short stacking energy: -84.337 Base-Backbone interact. energy: 0.370 local terms energy: -71.130302 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -12.741 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -18.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -271.764739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.764739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.764739 (E_RNA) where: Base-Base interactions energy: -187.970 where: short stacking energy: -76.810 Base-Backbone interact. energy: -0.170 local terms energy: -83.624647 where: bonds (distance) C4'-P energy: -17.885 bonds (distance) P-C4' energy: -18.783 flat angles C4'-P-C4' energy: -17.943 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -21.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -270.320339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.320339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.320339 (E_RNA) where: Base-Base interactions energy: -193.565 where: short stacking energy: -81.388 Base-Backbone interact. energy: -0.203 local terms energy: -76.551872 where: bonds (distance) C4'-P energy: -17.250 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -17.828 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -17.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -222.836598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.836598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.836598 (E_RNA) where: Base-Base interactions energy: -146.797 where: short stacking energy: -70.966 Base-Backbone interact. energy: -0.464 local terms energy: -75.574987 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -13.774 tors. eta vs tors. theta energy: -18.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -208.691868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.691868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.691868 (E_RNA) where: Base-Base interactions energy: -155.818 where: short stacking energy: -71.159 Base-Backbone interact. energy: 2.157 local terms energy: -55.030986 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -6.531 flat angles C4'-P-C4' energy: -17.327 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -14.584 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: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -257.302367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.302367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.302367 (E_RNA) where: Base-Base interactions energy: -187.019 where: short stacking energy: -81.370 Base-Backbone interact. energy: -0.175 local terms energy: -70.108371 where: bonds (distance) C4'-P energy: -16.246 bonds (distance) P-C4' energy: -17.089 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -21.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -191.725868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.725868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.725868 (E_RNA) where: Base-Base interactions energy: -127.652 where: short stacking energy: -59.067 Base-Backbone interact. energy: -0.272 local terms energy: -63.801541 where: bonds (distance) C4'-P energy: -16.294 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -13.418 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: 10, replica: 1 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -95.482267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.482267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.482267 (E_RNA) where: Base-Base interactions energy: -50.205 where: short stacking energy: -34.117 Base-Backbone interact. energy: -0.588 local terms energy: -44.689553 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -11.013 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: 2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -281.207490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.207490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.207490 (E_RNA) where: Base-Base interactions energy: -199.174 where: short stacking energy: -89.775 Base-Backbone interact. energy: -0.093 local terms energy: -81.940694 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -14.863 flat angles C4'-P-C4' energy: -16.970 flat angles P-C4'-P energy: -14.543 tors. eta vs tors. theta energy: -20.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -282.688884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.688884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.688884 (E_RNA) where: Base-Base interactions energy: -203.454 where: short stacking energy: -79.196 Base-Backbone interact. energy: -1.360 local terms energy: -77.874615 where: bonds (distance) C4'-P energy: -17.901 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -18.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -272.440952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.440952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.440952 (E_RNA) where: Base-Base interactions energy: -189.913 where: short stacking energy: -77.371 Base-Backbone interact. energy: -2.009 local terms energy: -80.519649 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -19.997 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -12.700 tors. eta vs tors. theta energy: -18.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -277.952073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.952073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.952073 (E_RNA) where: Base-Base interactions energy: -198.784 where: short stacking energy: -93.442 Base-Backbone interact. energy: -0.141 local terms energy: -79.027855 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -18.193 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -10.428 tors. eta vs tors. theta energy: -20.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -265.905391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.905391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.905391 (E_RNA) where: Base-Base interactions energy: -188.269 where: short stacking energy: -78.336 Base-Backbone interact. energy: -0.118 local terms energy: -77.517888 where: bonds (distance) C4'-P energy: -16.378 bonds (distance) P-C4' energy: -17.017 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -12.369 tors. eta vs tors. theta energy: -17.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -215.912582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.912582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.912582 (E_RNA) where: Base-Base interactions energy: -154.440 where: short stacking energy: -65.339 Base-Backbone interact. energy: -0.016 local terms energy: -61.456711 where: bonds (distance) C4'-P energy: -17.309 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -9.657 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -13.818 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: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -214.669751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.669751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.669751 (E_RNA) where: Base-Base interactions energy: -151.402 where: short stacking energy: -72.568 Base-Backbone interact. energy: -0.057 local terms energy: -63.210680 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -19.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -201.247355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.247355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.247355 (E_RNA) where: Base-Base interactions energy: -135.933 where: short stacking energy: -49.952 Base-Backbone interact. energy: -0.363 local terms energy: -64.951897 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -14.460 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: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -231.984360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.984360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.984360 (E_RNA) where: Base-Base interactions energy: -168.315 where: short stacking energy: -64.733 Base-Backbone interact. energy: -0.070 local terms energy: -63.598960 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -15.660 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -10.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -99.088025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.088025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.088025 (E_RNA) where: Base-Base interactions energy: -46.328 where: short stacking energy: -38.586 Base-Backbone interact. energy: -0.301 local terms energy: -52.458296 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -16.909 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -283.325513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.325513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.325513 (E_RNA) where: Base-Base interactions energy: -200.051 where: short stacking energy: -88.462 Base-Backbone interact. energy: -0.105 local terms energy: -83.168761 where: bonds (distance) C4'-P energy: -18.977 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -17.164 flat angles P-C4'-P energy: -13.164 tors. eta vs tors. theta energy: -19.057 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: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -284.312070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.312070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.312070 (E_RNA) where: Base-Base interactions energy: -200.521 where: short stacking energy: -84.438 Base-Backbone interact. energy: -1.300 local terms energy: -82.490768 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -16.173 flat angles C4'-P-C4' energy: -18.015 flat angles P-C4'-P energy: -14.082 tors. eta vs tors. theta energy: -18.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -282.476897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.476897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.476897 (E_RNA) where: Base-Base interactions energy: -200.521 where: short stacking energy: -88.951 Base-Backbone interact. energy: -0.497 local terms energy: -81.458876 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -18.866 flat angles C4'-P-C4' energy: -19.042 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -19.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -273.888148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.888148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.888148 (E_RNA) where: Base-Base interactions energy: -190.642 where: short stacking energy: -75.414 Base-Backbone interact. energy: -0.548 local terms energy: -82.698898 where: bonds (distance) C4'-P energy: -18.070 bonds (distance) P-C4' energy: -15.987 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -13.953 tors. eta vs tors. theta energy: -18.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -274.959249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.959249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.959249 (E_RNA) where: Base-Base interactions energy: -190.542 where: short stacking energy: -81.201 Base-Backbone interact. energy: -1.012 local terms energy: -83.404871 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -17.649 flat angles C4'-P-C4' energy: -17.441 flat angles P-C4'-P energy: -12.303 tors. eta vs tors. theta energy: -20.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -215.655621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.655621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.655621 (E_RNA) where: Base-Base interactions energy: -140.670 where: short stacking energy: -70.360 Base-Backbone interact. energy: -0.183 local terms energy: -74.801976 where: bonds (distance) C4'-P energy: -16.571 bonds (distance) P-C4' energy: -17.779 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -18.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -218.017423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.017423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.017423 (E_RNA) where: Base-Base interactions energy: -141.883 where: short stacking energy: -75.065 Base-Backbone interact. energy: 0.481 local terms energy: -76.614703 where: bonds (distance) C4'-P energy: -15.740 bonds (distance) P-C4' energy: -16.080 flat angles C4'-P-C4' energy: -15.198 flat angles P-C4'-P energy: -12.718 tors. eta vs tors. theta energy: -16.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -214.995080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.995080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.995080 (E_RNA) where: Base-Base interactions energy: -143.089 where: short stacking energy: -77.500 Base-Backbone interact. energy: 0.146 local terms energy: -72.052084 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -16.994 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -18.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -250.860880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -250.860880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -250.860880 (E_RNA) where: Base-Base interactions energy: -179.266 where: short stacking energy: -70.495 Base-Backbone interact. energy: -0.051 local terms energy: -71.544173 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -15.214 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -19.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -96.113454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.113454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.113454 (E_RNA) where: Base-Base interactions energy: -42.182 where: short stacking energy: -42.182 Base-Backbone interact. energy: -0.764 local terms energy: -53.166870 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -17.833 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -5.823 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: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -284.463618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.463618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.463618 (E_RNA) where: Base-Base interactions energy: -200.749 where: short stacking energy: -82.970 Base-Backbone interact. energy: -1.185 local terms energy: -82.529264 where: bonds (distance) C4'-P energy: -16.257 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -18.004 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -21.966 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: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -281.486706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.486706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.486706 (E_RNA) where: Base-Base interactions energy: -201.840 where: short stacking energy: -86.515 Base-Backbone interact. energy: -0.893 local terms energy: -78.753049 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -18.446 flat angles P-C4'-P energy: -11.379 tors. eta vs tors. theta energy: -18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -276.492027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.492027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.492027 (E_RNA) where: Base-Base interactions energy: -197.379 where: short stacking energy: -82.660 Base-Backbone interact. energy: -0.661 local terms energy: -78.452304 where: bonds (distance) C4'-P energy: -17.964 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -19.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -272.355498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.355498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.355498 (E_RNA) where: Base-Base interactions energy: -198.140 where: short stacking energy: -84.830 Base-Backbone interact. energy: 0.401 local terms energy: -74.616609 where: bonds (distance) C4'-P energy: -8.773 bonds (distance) P-C4' energy: -14.809 flat angles C4'-P-C4' energy: -18.860 flat angles P-C4'-P energy: -12.723 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -269.143590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.143590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.143590 (E_RNA) where: Base-Base interactions energy: -187.891 where: short stacking energy: -76.782 Base-Backbone interact. energy: -0.326 local terms energy: -80.925998 where: bonds (distance) C4'-P energy: -17.384 bonds (distance) P-C4' energy: -17.315 flat angles C4'-P-C4' energy: -16.455 flat angles P-C4'-P energy: -11.437 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -235.483345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.483345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.483345 (E_RNA) where: Base-Base interactions energy: -156.576 where: short stacking energy: -76.275 Base-Backbone interact. energy: -0.432 local terms energy: -78.474927 where: bonds (distance) C4'-P energy: -14.471 bonds (distance) P-C4' energy: -18.965 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -19.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -211.041894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.041894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.041894 (E_RNA) where: Base-Base interactions energy: -135.774 where: short stacking energy: -66.271 Base-Backbone interact. energy: -0.059 local terms energy: -75.208608 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -18.401 flat angles C4'-P-C4' energy: -16.476 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -13.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -236.473872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -236.473872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -236.473872 (E_RNA) where: Base-Base interactions energy: -171.121 where: short stacking energy: -65.092 Base-Backbone interact. energy: -0.496 local terms energy: -64.857355 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -17.741 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -17.927 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: 9, replica: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -210.585876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.585876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.585876 (E_RNA) where: Base-Base interactions energy: -136.371 where: short stacking energy: -68.384 Base-Backbone interact. energy: -0.003 local terms energy: -74.212252 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -19.435 flat angles C4'-P-C4' energy: -14.543 flat angles P-C4'-P energy: -13.331 tors. eta vs tors. theta energy: -16.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -109.595257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.595257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.595257 (E_RNA) where: Base-Base interactions energy: -55.511 where: short stacking energy: -34.690 Base-Backbone interact. energy: -0.159 local terms energy: -53.925399 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -17.064 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -283.960305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.960305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.960305 (E_RNA) where: Base-Base interactions energy: -204.973 where: short stacking energy: -80.653 Base-Backbone interact. energy: -0.802 local terms energy: -78.185320 where: bonds (distance) C4'-P energy: -14.720 bonds (distance) P-C4' energy: -17.559 flat angles C4'-P-C4' energy: -16.337 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -17.718 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: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -278.901816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.901816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.901816 (E_RNA) where: Base-Base interactions energy: -199.510 where: short stacking energy: -86.002 Base-Backbone interact. energy: -0.100 local terms energy: -79.291918 where: bonds (distance) C4'-P energy: -15.363 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -12.757 tors. eta vs tors. theta energy: -19.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -278.651142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.651142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.651142 (E_RNA) where: Base-Base interactions energy: -199.346 where: short stacking energy: -84.741 Base-Backbone interact. energy: -0.870 local terms energy: -78.434999 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -18.397 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -11.852 tors. eta vs tors. theta energy: -21.368 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: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -275.473856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.473856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.473856 (E_RNA) where: Base-Base interactions energy: -198.882 where: short stacking energy: -83.904 Base-Backbone interact. energy: -0.402 local terms energy: -76.189543 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -19.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -266.201244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.201244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.201244 (E_RNA) where: Base-Base interactions energy: -191.741 where: short stacking energy: -84.391 Base-Backbone interact. energy: -0.654 local terms energy: -73.805776 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -16.885 flat angles P-C4'-P energy: -8.473 tors. eta vs tors. theta energy: -19.863 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: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -217.314376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.314376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.314376 (E_RNA) where: Base-Base interactions energy: -140.560 where: short stacking energy: -68.092 Base-Backbone interact. energy: -0.099 local terms energy: -76.655506 where: bonds (distance) C4'-P energy: -13.909 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -15.272 flat angles P-C4'-P energy: -14.110 tors. eta vs tors. theta energy: -18.189 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: 492 Temperature: 1.200000 Total energy: -211.419820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.419820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.419820 (E_RNA) where: Base-Base interactions energy: -134.612 where: short stacking energy: -66.932 Base-Backbone interact. energy: -0.299 local terms energy: -76.508397 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -17.577 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -15.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -206.993952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.993952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.993952 (E_RNA) where: Base-Base interactions energy: -147.829 where: short stacking energy: -74.554 Base-Backbone interact. energy: -0.216 local terms energy: -58.949494 where: bonds (distance) C4'-P energy: -7.309 bonds (distance) P-C4' energy: -11.203 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -16.074 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: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -188.104234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.104234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.104234 (E_RNA) where: Base-Base interactions energy: -120.649 where: short stacking energy: -50.964 Base-Backbone interact. energy: -0.003 local terms energy: -67.452107 where: bonds (distance) C4'-P energy: -14.981 bonds (distance) P-C4' energy: -15.909 flat angles C4'-P-C4' energy: -17.978 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -109.788463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.788463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.788463 (E_RNA) where: Base-Base interactions energy: -60.625 where: short stacking energy: -34.600 Base-Backbone interact. energy: 0.595 local terms energy: -49.758832 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -17.882 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -287.498783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.498783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.498783 (E_RNA) where: Base-Base interactions energy: -200.983 where: short stacking energy: -87.068 Base-Backbone interact. energy: -1.852 local terms energy: -84.663764 where: bonds (distance) C4'-P energy: -15.084 bonds (distance) P-C4' energy: -17.882 flat angles C4'-P-C4' energy: -16.642 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -22.343 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: 6 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -286.139924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.139924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.139924 (E_RNA) where: Base-Base interactions energy: -200.186 where: short stacking energy: -85.687 Base-Backbone interact. energy: -0.149 local terms energy: -85.804950 where: bonds (distance) C4'-P energy: -18.529 bonds (distance) P-C4' energy: -19.731 flat angles C4'-P-C4' energy: -18.272 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -19.996 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: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -280.327066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.327066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.327066 (E_RNA) where: Base-Base interactions energy: -199.046 where: short stacking energy: -80.940 Base-Backbone interact. energy: -0.286 local terms energy: -80.995018 where: bonds (distance) C4'-P energy: -18.128 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -11.832 tors. eta vs tors. theta energy: -19.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -265.344544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.344544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.344544 (E_RNA) where: Base-Base interactions energy: -189.486 where: short stacking energy: -67.537 Base-Backbone interact. energy: -0.110 local terms energy: -75.748054 where: bonds (distance) C4'-P energy: -15.813 bonds (distance) P-C4' energy: -17.379 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -22.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -273.535898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.535898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.535898 (E_RNA) where: Base-Base interactions energy: -195.124 where: short stacking energy: -80.453 Base-Backbone interact. energy: -0.648 local terms energy: -77.764699 where: bonds (distance) C4'-P energy: -16.850 bonds (distance) P-C4' energy: -11.819 flat angles C4'-P-C4' energy: -19.322 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -20.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -228.574768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.574768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.574768 (E_RNA) where: Base-Base interactions energy: -164.729 where: short stacking energy: -65.867 Base-Backbone interact. energy: 1.741 local terms energy: -65.586462 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -14.006 flat angles C4'-P-C4' energy: -16.556 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -220.760110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.760110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.760110 (E_RNA) where: Base-Base interactions energy: -147.901 where: short stacking energy: -69.451 Base-Backbone interact. energy: -0.008 local terms energy: -72.850925 where: bonds (distance) C4'-P energy: -16.587 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -17.082 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -17.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -209.735166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.735166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.735166 (E_RNA) where: Base-Base interactions energy: -145.375 where: short stacking energy: -67.200 Base-Backbone interact. energy: -0.004 local terms energy: -64.355647 where: bonds (distance) C4'-P energy: -17.751 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -16.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -210.800878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.800878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.800878 (E_RNA) where: Base-Base interactions energy: -144.826 where: short stacking energy: -72.458 Base-Backbone interact. energy: -0.239 local terms energy: -65.735682 where: bonds (distance) C4'-P energy: -16.187 bonds (distance) P-C4' energy: -13.735 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -103.055426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.055426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.055426 (E_RNA) where: Base-Base interactions energy: -47.115 where: short stacking energy: -45.991 Base-Backbone interact. energy: -0.005 local terms energy: -55.934962 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -15.648 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -4.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -283.954959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.954959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.954959 (E_RNA) where: Base-Base interactions energy: -201.384 where: short stacking energy: -83.897 Base-Backbone interact. energy: -0.739 local terms energy: -81.832301 where: bonds (distance) C4'-P energy: -14.899 bonds (distance) P-C4' energy: -19.571 flat angles C4'-P-C4' energy: -15.942 flat angles P-C4'-P energy: -11.935 tors. eta vs tors. theta energy: -19.486 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: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -275.173137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.173137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.173137 (E_RNA) where: Base-Base interactions energy: -198.305 where: short stacking energy: -81.802 Base-Backbone interact. energy: -0.707 local terms energy: -76.161637 where: bonds (distance) C4'-P energy: -16.535 bonds (distance) P-C4' energy: -19.409 flat angles C4'-P-C4' energy: -10.516 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -19.894 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: 3, replica: 5 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -277.691479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.691479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.691479 (E_RNA) where: Base-Base interactions energy: -191.801 where: short stacking energy: -78.946 Base-Backbone interact. energy: -2.146 local terms energy: -83.744257 where: bonds (distance) C4'-P energy: -19.077 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -19.684 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -18.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -274.003603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.003603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.003603 (E_RNA) where: Base-Base interactions energy: -190.191 where: short stacking energy: -78.469 Base-Backbone interact. energy: -1.754 local terms energy: -82.058441 where: bonds (distance) C4'-P energy: -17.299 bonds (distance) P-C4' energy: -14.391 flat angles C4'-P-C4' energy: -15.551 flat angles P-C4'-P energy: -13.683 tors. eta vs tors. theta energy: -21.133 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: 7 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -275.323118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.323118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.323118 (E_RNA) where: Base-Base interactions energy: -198.670 where: short stacking energy: -80.208 Base-Backbone interact. energy: -1.617 local terms energy: -75.035336 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -20.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -235.385679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.385679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.385679 (E_RNA) where: Base-Base interactions energy: -171.512 where: short stacking energy: -71.155 Base-Backbone interact. energy: -0.053 local terms energy: -63.820316 where: bonds (distance) C4'-P energy: -16.436 bonds (distance) P-C4' energy: -9.164 flat angles C4'-P-C4' energy: -18.687 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -216.276476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.276476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.276476 (E_RNA) where: Base-Base interactions energy: -147.743 where: short stacking energy: -70.313 Base-Backbone interact. energy: -0.068 local terms energy: -68.465118 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -12.864 tors. eta vs tors. theta energy: -19.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -208.679214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.679214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.679214 (E_RNA) where: Base-Base interactions energy: -137.494 where: short stacking energy: -72.490 Base-Backbone interact. energy: -0.266 local terms energy: -70.919402 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -17.470 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -17.358 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: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -193.526273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.526273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.526273 (E_RNA) where: Base-Base interactions energy: -123.273 where: short stacking energy: -56.053 Base-Backbone interact. energy: 0.756 local terms energy: -71.008856 where: bonds (distance) C4'-P energy: -10.838 bonds (distance) P-C4' energy: -16.060 flat angles C4'-P-C4' energy: -17.508 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -144.722726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.722726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.722726 (E_RNA) where: Base-Base interactions energy: -84.267 where: short stacking energy: -49.372 Base-Backbone interact. energy: -0.794 local terms energy: -59.662223 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -9.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -288.719228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.719228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.719228 (E_RNA) where: Base-Base interactions energy: -203.991 where: short stacking energy: -84.744 Base-Backbone interact. energy: -0.587 local terms energy: -84.141591 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.331 flat angles C4'-P-C4' energy: -18.479 flat angles P-C4'-P energy: -11.099 tors. eta vs tors. theta energy: -20.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -282.276434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.276434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.276434 (E_RNA) where: Base-Base interactions energy: -202.998 where: short stacking energy: -85.010 Base-Backbone interact. energy: -0.527 local terms energy: -78.751143 where: bonds (distance) C4'-P energy: -17.805 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -15.922 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -22.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -281.096005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.096005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.096005 (E_RNA) where: Base-Base interactions energy: -201.544 where: short stacking energy: -90.910 Base-Backbone interact. energy: -0.110 local terms energy: -79.441921 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -14.235 flat angles C4'-P-C4' energy: -17.763 flat angles P-C4'-P energy: -13.361 tors. eta vs tors. theta energy: -19.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -271.476324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.476324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.476324 (E_RNA) where: Base-Base interactions energy: -190.193 where: short stacking energy: -83.884 Base-Backbone interact. energy: -0.589 local terms energy: -80.693880 where: bonds (distance) C4'-P energy: -15.768 bonds (distance) P-C4' energy: -18.228 flat angles C4'-P-C4' energy: -19.574 flat angles P-C4'-P energy: -8.734 tors. eta vs tors. theta energy: -18.390 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: 2 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -269.951779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.951779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.951779 (E_RNA) where: Base-Base interactions energy: -190.841 where: short stacking energy: -76.224 Base-Backbone interact. energy: -0.834 local terms energy: -78.276425 where: bonds (distance) C4'-P energy: -16.846 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -12.981 tors. eta vs tors. theta energy: -17.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -219.666671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.666671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.666671 (E_RNA) where: Base-Base interactions energy: -148.984 where: short stacking energy: -78.325 Base-Backbone interact. energy: -0.072 local terms energy: -70.610727 where: bonds (distance) C4'-P energy: -11.188 bonds (distance) P-C4' energy: -18.612 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -17.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -231.413535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.413535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.413535 (E_RNA) where: Base-Base interactions energy: -157.690 where: short stacking energy: -67.285 Base-Backbone interact. energy: -0.358 local terms energy: -73.365783 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -15.826 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -17.031 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: 8, replica: 3 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -202.042021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.042021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.042021 (E_RNA) where: Base-Base interactions energy: -133.791 where: short stacking energy: -64.450 Base-Backbone interact. energy: -0.342 local terms energy: -67.909110 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -19.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -200.365004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.365004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.365004 (E_RNA) where: Base-Base interactions energy: -140.139 where: short stacking energy: -69.345 Base-Backbone interact. energy: -0.013 local terms energy: -60.212346 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -9.400 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -11.921 tors. eta vs tors. theta energy: -12.274 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: 1 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -113.918594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.918594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.918594 (E_RNA) where: Base-Base interactions energy: -64.238 where: short stacking energy: -30.649 Base-Backbone interact. energy: -0.358 local terms energy: -49.322120 where: bonds (distance) C4'-P energy: -17.510 bonds (distance) P-C4' energy: -9.888 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: 0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -286.533972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.533972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.533972 (E_RNA) where: Base-Base interactions energy: -200.611 where: short stacking energy: -84.164 Base-Backbone interact. energy: 0.609 local terms energy: -86.532278 where: bonds (distance) C4'-P energy: -15.995 bonds (distance) P-C4' energy: -17.336 flat angles C4'-P-C4' energy: -20.131 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -22.465 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: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -281.029173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.029173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.029173 (E_RNA) where: Base-Base interactions energy: -194.334 where: short stacking energy: -79.290 Base-Backbone interact. energy: -0.034 local terms energy: -86.661155 where: bonds (distance) C4'-P energy: -17.113 bonds (distance) P-C4' energy: -19.603 flat angles C4'-P-C4' energy: -16.126 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -23.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -272.989572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.989572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.989572 (E_RNA) where: Base-Base interactions energy: -193.908 where: short stacking energy: -84.694 Base-Backbone interact. energy: -0.102 local terms energy: -78.979356 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -13.380 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -277.171363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.171363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.171363 (E_RNA) where: Base-Base interactions energy: -204.970 where: short stacking energy: -78.733 Base-Backbone interact. energy: -0.181 local terms energy: -72.020231 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -17.428 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -19.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -265.991480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -265.991480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -265.991480 (E_RNA) where: Base-Base interactions energy: -194.506 where: short stacking energy: -85.278 Base-Backbone interact. energy: -0.491 local terms energy: -70.994552 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -13.484 tors. eta vs tors. theta energy: -20.130 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: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -238.116959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.116959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.116959 (E_RNA) where: Base-Base interactions energy: -170.623 where: short stacking energy: -73.293 Base-Backbone interact. energy: -0.165 local terms energy: -67.328664 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -14.767 flat angles C4'-P-C4' energy: -17.122 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -15.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -212.480683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.480683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.480683 (E_RNA) where: Base-Base interactions energy: -140.021 where: short stacking energy: -68.897 Base-Backbone interact. energy: 0.623 local terms energy: -73.083005 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -15.999 flat angles C4'-P-C4' energy: -15.891 flat angles P-C4'-P energy: -12.085 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -219.433823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.433823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.433823 (E_RNA) where: Base-Base interactions energy: -144.132 where: short stacking energy: -71.345 Base-Backbone interact. energy: -0.139 local terms energy: -75.163599 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -18.325 flat angles P-C4'-P energy: -14.167 tors. eta vs tors. theta energy: -18.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -216.838683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.838683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.838683 (E_RNA) where: Base-Base interactions energy: -151.441 where: short stacking energy: -77.196 Base-Backbone interact. energy: -0.373 local terms energy: -65.025131 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -8.768 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -12.523 tors. eta vs tors. theta energy: -19.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -93.438346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.438346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.438346 (E_RNA) where: Base-Base interactions energy: -45.428 where: short stacking energy: -45.928 Base-Backbone interact. energy: 4.083 local terms energy: -52.093846 where: bonds (distance) C4'-P energy: -14.432 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -284.808099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.808099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.808099 (E_RNA) where: Base-Base interactions energy: -204.227 where: short stacking energy: -86.185 Base-Backbone interact. energy: -0.477 local terms energy: -80.104259 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -17.495 flat angles C4'-P-C4' energy: -19.789 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -21.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -280.226379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.226379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.226379 (E_RNA) where: Base-Base interactions energy: -199.476 where: short stacking energy: -82.619 Base-Backbone interact. energy: -1.396 local terms energy: -79.354940 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -12.725 tors. eta vs tors. theta energy: -18.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -268.723964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.723964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.723964 (E_RNA) where: Base-Base interactions energy: -190.115 where: short stacking energy: -85.963 Base-Backbone interact. energy: -0.154 local terms energy: -78.454931 where: bonds (distance) C4'-P energy: -16.870 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -17.693 flat angles P-C4'-P energy: -11.856 tors. eta vs tors. theta energy: -17.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -267.207297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.207297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.207297 (E_RNA) where: Base-Base interactions energy: -187.287 where: short stacking energy: -68.744 Base-Backbone interact. energy: -0.402 local terms energy: -79.519061 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -17.106 flat angles C4'-P-C4' energy: -18.458 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -17.057 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: 7 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -270.195820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.195820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.195820 (E_RNA) where: Base-Base interactions energy: -196.989 where: short stacking energy: -89.523 Base-Backbone interact. energy: -0.091 local terms energy: -73.116063 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -9.542 flat angles C4'-P-C4' energy: -18.130 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -214.196953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.196953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.196953 (E_RNA) where: Base-Base interactions energy: -142.213 where: short stacking energy: -71.879 Base-Backbone interact. energy: -0.023 local terms energy: -71.960316 where: bonds (distance) C4'-P energy: -16.547 bonds (distance) P-C4' energy: -9.055 flat angles C4'-P-C4' energy: -17.692 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -17.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -243.478600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.478600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.478600 (E_RNA) where: Base-Base interactions energy: -174.257 where: short stacking energy: -73.058 Base-Backbone interact. energy: -1.460 local terms energy: -67.761844 where: bonds (distance) C4'-P energy: -15.239 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -14.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -195.659239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.659239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.659239 (E_RNA) where: Base-Base interactions energy: -134.145 where: short stacking energy: -65.931 Base-Backbone interact. energy: 3.134 local terms energy: -64.648128 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -13.177 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -15.675 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: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -216.711485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.711485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.711485 (E_RNA) where: Base-Base interactions energy: -138.704 where: short stacking energy: -72.782 Base-Backbone interact. energy: -0.219 local terms energy: -77.789359 where: bonds (distance) C4'-P energy: -15.626 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -20.315 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -19.835 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: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -96.182678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.182678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.182678 (E_RNA) where: Base-Base interactions energy: -48.609 where: short stacking energy: -42.688 Base-Backbone interact. energy: -0.058 local terms energy: -47.515203 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -7.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -283.374620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.374620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.374620 (E_RNA) where: Base-Base interactions energy: -196.083 where: short stacking energy: -87.024 Base-Backbone interact. energy: -0.328 local terms energy: -86.964216 where: bonds (distance) C4'-P energy: -19.325 bonds (distance) P-C4' energy: -18.147 flat angles C4'-P-C4' energy: -17.687 flat angles P-C4'-P energy: -11.606 tors. eta vs tors. theta energy: -20.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -289.230737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.230737 (E_RNA) where: Base-Base interactions energy: -201.389 where: short stacking energy: -79.143 Base-Backbone interact. energy: -0.177 local terms energy: -87.664273 where: bonds (distance) C4'-P energy: -19.068 bonds (distance) P-C4' energy: -18.379 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -14.615 tors. eta vs tors. theta energy: -19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -277.191849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.191849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.191849 (E_RNA) where: Base-Base interactions energy: -194.021 where: short stacking energy: -76.097 Base-Backbone interact. energy: -0.434 local terms energy: -82.736745 where: bonds (distance) C4'-P energy: -17.366 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -17.578 flat angles P-C4'-P energy: -16.373 tors. eta vs tors. theta energy: -19.917 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: 4, replica: 2 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -263.967838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.967838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.967838 (E_RNA) where: Base-Base interactions energy: -186.026 where: short stacking energy: -82.774 Base-Backbone interact. energy: -0.012 local terms energy: -77.929437 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -13.325 tors. eta vs tors. theta energy: -18.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -271.124164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.124164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.124164 (E_RNA) where: Base-Base interactions energy: -193.690 where: short stacking energy: -82.602 Base-Backbone interact. energy: -0.241 local terms energy: -77.192762 where: bonds (distance) C4'-P energy: -15.801 bonds (distance) P-C4' energy: -19.218 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -19.837 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: 3 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -205.981798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.981798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.981798 (E_RNA) where: Base-Base interactions energy: -132.112 where: short stacking energy: -60.547 Base-Backbone interact. energy: 0.470 local terms energy: -74.339353 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -15.210 flat angles C4'-P-C4' energy: -19.099 flat angles P-C4'-P energy: -12.458 tors. eta vs tors. theta energy: -11.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -241.881035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -241.881035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -241.881035 (E_RNA) where: Base-Base interactions energy: -169.710 where: short stacking energy: -67.229 Base-Backbone interact. energy: -0.101 local terms energy: -72.069807 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -16.761 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -17.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -200.627537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.627537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.627537 (E_RNA) where: Base-Base interactions energy: -130.185 where: short stacking energy: -59.774 Base-Backbone interact. energy: -0.175 local terms energy: -70.266963 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -16.706 flat angles P-C4'-P energy: -12.964 tors. eta vs tors. theta energy: -16.164 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: 1 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -108.328102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.328102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.328102 (E_RNA) where: Base-Base interactions energy: -58.068 where: short stacking energy: -51.146 Base-Backbone interact. energy: -0.309 local terms energy: -49.951619 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -8.406 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -12.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -183.810691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.810691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.810691 (E_RNA) where: Base-Base interactions energy: -128.709 where: short stacking energy: -51.959 Base-Backbone interact. energy: 0.556 local terms energy: -55.657203 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -13.568 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -9.162 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: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -286.650613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.650613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.650613 (E_RNA) where: Base-Base interactions energy: -203.639 where: short stacking energy: -84.932 Base-Backbone interact. energy: -0.108 local terms energy: -82.902876 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -17.179 flat angles C4'-P-C4' energy: -18.174 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -20.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -279.324019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.324019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.324019 (E_RNA) where: Base-Base interactions energy: -202.823 where: short stacking energy: -85.362 Base-Backbone interact. energy: -0.090 local terms energy: -76.411126 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -16.960 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -12.593 tors. eta vs tors. theta energy: -20.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -280.453470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.453470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.453470 (E_RNA) where: Base-Base interactions energy: -203.270 where: short stacking energy: -81.100 Base-Backbone interact. energy: -0.486 local terms energy: -76.697347 where: bonds (distance) C4'-P energy: -16.785 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -272.492136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.492136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.492136 (E_RNA) where: Base-Base interactions energy: -191.306 where: short stacking energy: -74.906 Base-Backbone interact. energy: -0.266 local terms energy: -80.920416 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -16.083 flat angles C4'-P-C4' energy: -18.181 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -20.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -257.758837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.758837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.758837 (E_RNA) where: Base-Base interactions energy: -183.281 where: short stacking energy: -76.913 Base-Backbone interact. energy: -0.385 local terms energy: -74.092238 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -14.941 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -12.794 tors. eta vs tors. theta energy: -16.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -214.684297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.684297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.684297 (E_RNA) where: Base-Base interactions energy: -139.948 where: short stacking energy: -68.125 Base-Backbone interact. energy: 0.245 local terms energy: -74.981680 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -9.341 flat angles C4'-P-C4' energy: -19.079 flat angles P-C4'-P energy: -14.767 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -202.812482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.812482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.812482 (E_RNA) where: Base-Base interactions energy: -136.137 where: short stacking energy: -61.865 Base-Backbone interact. energy: -0.136 local terms energy: -66.538725 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -12.501 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: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -202.066331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.066331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.066331 (E_RNA) where: Base-Base interactions energy: -134.856 where: short stacking energy: -60.435 Base-Backbone interact. energy: -0.126 local terms energy: -67.084732 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -16.281 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -15.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -132.064029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.064029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.064029 (E_RNA) where: Base-Base interactions energy: -71.427 where: short stacking energy: -42.641 Base-Backbone interact. energy: -0.102 local terms energy: -60.535397 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -18.114 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -3.447 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: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -146.146752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.146752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.146752 (E_RNA) where: Base-Base interactions energy: -92.598 where: short stacking energy: -43.958 Base-Backbone interact. energy: -0.226 local terms energy: -53.323641 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -10.631 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -8.624 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: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -285.303459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.303459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.303459 (E_RNA) where: Base-Base interactions energy: -203.089 where: short stacking energy: -85.121 Base-Backbone interact. energy: -1.614 local terms energy: -80.601130 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -18.936 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -10.935 tors. eta vs tors. theta energy: -20.725 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: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -284.581835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.581835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.581835 (E_RNA) where: Base-Base interactions energy: -198.775 where: short stacking energy: -85.564 Base-Backbone interact. energy: 0.835 local terms energy: -86.642644 where: bonds (distance) C4'-P energy: -15.688 bonds (distance) P-C4' energy: -18.218 flat angles C4'-P-C4' energy: -17.220 flat angles P-C4'-P energy: -14.272 tors. eta vs tors. theta energy: -21.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -277.682856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.682856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.682856 (E_RNA) where: Base-Base interactions energy: -190.951 where: short stacking energy: -79.518 Base-Backbone interact. energy: -0.493 local terms energy: -86.238782 where: bonds (distance) C4'-P energy: -17.847 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -17.974 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -22.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -278.391346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.391346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.391346 (E_RNA) where: Base-Base interactions energy: -200.065 where: short stacking energy: -82.908 Base-Backbone interact. energy: -0.077 local terms energy: -78.249295 where: bonds (distance) C4'-P energy: -17.348 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -16.666 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -23.044 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: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -260.852176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.852176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.852176 (E_RNA) where: Base-Base interactions energy: -188.506 where: short stacking energy: -79.688 Base-Backbone interact. energy: -1.240 local terms energy: -71.106299 where: bonds (distance) C4'-P energy: -15.160 bonds (distance) P-C4' energy: -11.291 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -10.357 tors. eta vs tors. theta energy: -19.234 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: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -231.491051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.491051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.491051 (E_RNA) where: Base-Base interactions energy: -156.251 where: short stacking energy: -69.025 Base-Backbone interact. energy: -0.004 local terms energy: -75.235996 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -15.394 flat angles C4'-P-C4' energy: -16.204 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -21.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -235.629133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -235.629133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -235.629133 (E_RNA) where: Base-Base interactions energy: -172.189 where: short stacking energy: -67.071 Base-Backbone interact. energy: -0.131 local terms energy: -63.308695 where: bonds (distance) C4'-P energy: -8.842 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -12.788 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: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -192.793163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.793163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.793163 (E_RNA) where: Base-Base interactions energy: -134.009 where: short stacking energy: -61.033 Base-Backbone interact. energy: 0.035 local terms energy: -58.819705 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -14.999 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -13.259 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: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -149.559004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.559004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.559004 (E_RNA) where: Base-Base interactions energy: -85.735 where: short stacking energy: -38.698 Base-Backbone interact. energy: -0.013 local terms energy: -63.810677 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -18.106 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -94.022756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.022756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.022756 (E_RNA) where: Base-Base interactions energy: -41.441 where: short stacking energy: -27.698 Base-Backbone interact. energy: -0.088 local terms energy: -52.493698 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -9.949 flat angles P-C4'-P energy: -12.878 tors. eta vs tors. theta energy: 0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -285.267616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.267616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.267616 (E_RNA) where: Base-Base interactions energy: -202.842 where: short stacking energy: -88.511 Base-Backbone interact. energy: -1.480 local terms energy: -80.945441 where: bonds (distance) C4'-P energy: -16.197 bonds (distance) P-C4' energy: -15.550 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -15.262 tors. eta vs tors. theta energy: -20.250 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: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -281.865672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.865672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.865672 (E_RNA) where: Base-Base interactions energy: -199.811 where: short stacking energy: -78.944 Base-Backbone interact. energy: -0.027 local terms energy: -82.027755 where: bonds (distance) C4'-P energy: -15.671 bonds (distance) P-C4' energy: -16.717 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -14.680 tors. eta vs tors. theta energy: -19.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -281.259167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.259167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.259167 (E_RNA) where: Base-Base interactions energy: -203.400 where: short stacking energy: -86.871 Base-Backbone interact. energy: -0.130 local terms energy: -77.729117 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -16.309 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -11.477 tors. eta vs tors. theta energy: -19.569 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: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -275.291907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.291907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.291907 (E_RNA) where: Base-Base interactions energy: -197.618 where: short stacking energy: -84.230 Base-Backbone interact. energy: -0.339 local terms energy: -77.335179 where: bonds (distance) C4'-P energy: -15.587 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -18.096 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -19.814 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: 7 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -260.712575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.712575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.712575 (E_RNA) where: Base-Base interactions energy: -192.961 where: short stacking energy: -78.592 Base-Backbone interact. energy: 3.169 local terms energy: -70.920937 where: bonds (distance) C4'-P energy: -9.678 bonds (distance) P-C4' energy: -17.452 flat angles C4'-P-C4' energy: -18.380 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -17.396 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: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -243.035393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -243.035393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -243.035393 (E_RNA) where: Base-Base interactions energy: -171.141 where: short stacking energy: -60.723 Base-Backbone interact. energy: -0.312 local terms energy: -71.582829 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -213.406617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.406617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.406617 (E_RNA) where: Base-Base interactions energy: -143.736 where: short stacking energy: -69.826 Base-Backbone interact. energy: -0.175 local terms energy: -69.494920 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -15.596 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -17.277 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: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -198.243535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.243535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.243535 (E_RNA) where: Base-Base interactions energy: -134.782 where: short stacking energy: -63.853 Base-Backbone interact. energy: -0.129 local terms energy: -63.332461 where: bonds (distance) C4'-P energy: -6.347 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -15.048 tors. eta vs tors. theta energy: -13.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -159.363712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.363712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.363712 (E_RNA) where: Base-Base interactions energy: -101.151 where: short stacking energy: -55.963 Base-Backbone interact. energy: 0.297 local terms energy: -58.509768 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -7.734 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: 10, replica: 1 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -111.802541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.802541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.802541 (E_RNA) where: Base-Base interactions energy: -64.871 where: short stacking energy: -28.046 Base-Backbone interact. energy: 0.457 local terms energy: -47.388689 where: bonds (distance) C4'-P energy: -9.489 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11048515 moves confirmed later: 12428905 all moves confirmed: 23477420 percent of confirmed moves: 2.934677 current total energy: -265.670498 recalc. total energy: -265.670498 replica 4 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 12991059 moves confirmed later: 14774394 all moves confirmed: 27765453 percent of confirmed moves: 3.470682 current total energy: -243.822456 recalc. total energy: -243.822456 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 15467128 moves confirmed later: 18031169 all moves confirmed: 33498297 percent of confirmed moves: 4.187287 current total energy: -240.764807 recalc. total energy: -240.764807 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 10736423 moves confirmed later: 11832818 all moves confirmed: 22569241 percent of confirmed moves: 2.821155 current total energy: -259.863336 recalc. total energy: -259.863336 replica 7 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 15428155 moves confirmed later: 18006482 all moves confirmed: 33434637 percent of confirmed moves: 4.179330 current total energy: -231.730181 recalc. total energy: -231.730181 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 16878436 moves confirmed later: 19975099 all moves confirmed: 36853535 percent of confirmed moves: 4.606692 current total energy: -171.385415 recalc. total energy: -171.385415 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 21929336 moves confirmed later: 26469861 all moves confirmed: 48399197 percent of confirmed moves: 6.049900 current total energy: -137.794144 recalc. total energy: -137.794144 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11902129 moves confirmed later: 13438993 all moves confirmed: 25341122 percent of confirmed moves: 3.167640 current total energy: -173.906467 recalc. total energy: -173.906467 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 12751795 moves confirmed later: 14504114 all moves confirmed: 27255909 percent of confirmed moves: 3.406989 current total energy: -32.131430 recalc. total energy: -32.131430 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 14986739 moves confirmed later: 17493364 all moves confirmed: 32480103 percent of confirmed moves: 4.060013 current total energy: -55.716025 recalc. total energy: -55.716025 out arg RESULTS//1/professor-34b54938_01 Time of doing 8000000 iterations: 2886.634 seconds