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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/EBNA1_rna_g-quadrupl-eacf1394/inputs/seq.fa: 1 curr_seq: _GGGGCAGGAGCAGGAGGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGGGCAGGAGCAGGAGGA 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 18 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: 95 n_atoms_counter: 95 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 18.000000 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: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -68.567346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.567346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.567346 (E_RNA) where: Base-Base interactions energy: -1.462 where: short stacking energy: -1.462 Base-Backbone interact. energy: -0.000 local terms energy: -67.105319 where: bonds (distance) C4'-P energy: -17.488 bonds (distance) P-C4' energy: -16.998 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -15.118 tors. eta vs tors. theta energy: -4.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -131.663068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.663068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.663068 (E_RNA) where: Base-Base interactions energy: -61.539 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.006 local terms energy: -70.118575 where: bonds (distance) C4'-P energy: -13.751 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -132.308104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.308104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.308104 (E_RNA) where: Base-Base interactions energy: -69.781 where: short stacking energy: -47.133 Base-Backbone interact. energy: -0.291 local terms energy: -62.235632 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -10.716 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -107.202980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.202980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.202980 (E_RNA) where: Base-Base interactions energy: -53.837 where: short stacking energy: -53.837 Base-Backbone interact. energy: 0.338 local terms energy: -53.704099 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -9.762 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: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -104.074877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.074877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.074877 (E_RNA) where: Base-Base interactions energy: -54.448 where: short stacking energy: -54.448 Base-Backbone interact. energy: -0.008 local terms energy: -49.618554 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -102.362986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.362986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.362986 (E_RNA) where: Base-Base interactions energy: -44.332 where: short stacking energy: -44.332 Base-Backbone interact. energy: -0.002 local terms energy: -58.028697 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -10.536 tors. eta vs tors. theta energy: -9.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -91.270060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.270060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.270060 (E_RNA) where: Base-Base interactions energy: -42.324 where: short stacking energy: -42.324 Base-Backbone interact. energy: -0.020 local terms energy: -48.925997 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -10.808 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -87.046620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.046620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.046620 (E_RNA) where: Base-Base interactions energy: -40.847 where: short stacking energy: -40.553 Base-Backbone interact. energy: -0.009 local terms energy: -46.191039 where: bonds (distance) C4'-P energy: -3.263 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -12.704 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -10.850 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: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -79.916232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.916232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.916232 (E_RNA) where: Base-Base interactions energy: -32.975 where: short stacking energy: -31.053 Base-Backbone interact. energy: -0.208 local terms energy: -46.733845 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -10.445 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -95.121597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.121597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.121597 (E_RNA) where: Base-Base interactions energy: -47.633 where: short stacking energy: -40.859 Base-Backbone interact. energy: 1.039 local terms energy: -48.527620 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -9.433 flat angles C4'-P-C4' energy: -10.313 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -70.168143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.168143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.168143 (E_RNA) where: Base-Base interactions energy: -31.677 where: short stacking energy: -31.677 Base-Backbone interact. energy: -0.112 local terms energy: -38.379137 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -11.479 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -123.862161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.862161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.862161 (E_RNA) where: Base-Base interactions energy: -63.723 where: short stacking energy: -59.710 Base-Backbone interact. energy: -0.226 local terms energy: -59.913206 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -12.263 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -128.147768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.147768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.147768 (E_RNA) where: Base-Base interactions energy: -64.433 where: short stacking energy: -55.895 Base-Backbone interact. energy: -1.421 local terms energy: -62.294118 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -11.025 tors. eta vs tors. theta energy: -11.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -131.601167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.601167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.601167 (E_RNA) where: Base-Base interactions energy: -69.010 where: short stacking energy: -50.018 Base-Backbone interact. energy: -0.001 local terms energy: -62.590547 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -113.196500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.196500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.196500 (E_RNA) where: Base-Base interactions energy: -57.190 where: short stacking energy: -57.190 Base-Backbone interact. energy: -0.111 local terms energy: -55.895537 where: bonds (distance) C4'-P energy: -9.528 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -107.875286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.875286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.875286 (E_RNA) where: Base-Base interactions energy: -49.386 where: short stacking energy: -49.386 Base-Backbone interact. energy: -0.002 local terms energy: -58.488082 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -11.214 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -11.703 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: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -95.209997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.209997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.209997 (E_RNA) where: Base-Base interactions energy: -42.997 where: short stacking energy: -30.077 Base-Backbone interact. energy: -0.100 local terms energy: -52.112169 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -9.740 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: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -97.212475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.212475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.212475 (E_RNA) where: Base-Base interactions energy: -42.643 where: short stacking energy: -40.249 Base-Backbone interact. energy: -0.013 local terms energy: -54.555659 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -12.126 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -102.994945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.994945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.994945 (E_RNA) where: Base-Base interactions energy: -70.272 where: short stacking energy: -43.029 Base-Backbone interact. energy: 0.123 local terms energy: -32.846338 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -10.615 flat angles C4'-P-C4' energy: -2.282 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -77.495401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.495401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.495401 (E_RNA) where: Base-Base interactions energy: -29.475 where: short stacking energy: -27.113 Base-Backbone interact. energy: 0.101 local terms energy: -48.121137 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -12.273 flat angles C4'-P-C4' energy: -10.750 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -72.260361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.260361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.260361 (E_RNA) where: Base-Base interactions energy: -33.965 where: short stacking energy: -33.965 Base-Backbone interact. energy: -0.105 local terms energy: -38.191129 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -7.890 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -6.217 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: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -134.730012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.730012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.730012 (E_RNA) where: Base-Base interactions energy: -69.709 where: short stacking energy: -65.156 Base-Backbone interact. energy: -0.196 local terms energy: -64.824761 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -9.740 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: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -119.232891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.232891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.232891 (E_RNA) where: Base-Base interactions energy: -60.036 where: short stacking energy: -57.634 Base-Backbone interact. energy: -0.092 local terms energy: -59.105237 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -8.568 tors. eta vs tors. theta energy: -11.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -138.543053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.543053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.543053 (E_RNA) where: Base-Base interactions energy: -80.303 where: short stacking energy: -59.249 Base-Backbone interact. energy: -0.006 local terms energy: -58.233467 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -9.586 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -10.085 tors. eta vs tors. theta energy: -15.121 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -113.656638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.656638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.656638 (E_RNA) where: Base-Base interactions energy: -56.054 where: short stacking energy: -54.516 Base-Backbone interact. energy: -0.121 local terms energy: -57.481984 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -6.527 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: 5, replica: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -109.421842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.421842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.421842 (E_RNA) where: Base-Base interactions energy: -50.023 where: short stacking energy: -50.023 Base-Backbone interact. energy: -0.004 local terms energy: -59.395112 where: bonds (distance) C4'-P energy: -8.985 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -8.759 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -98.811533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.811533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.811533 (E_RNA) where: Base-Base interactions energy: -45.611 where: short stacking energy: -43.406 Base-Backbone interact. energy: -0.005 local terms energy: -53.195309 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -11.738 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -95.599401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.599401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.599401 (E_RNA) where: Base-Base interactions energy: -48.327 where: short stacking energy: -37.010 Base-Backbone interact. energy: -0.098 local terms energy: -47.175016 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -7.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -80.471185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.471185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.471185 (E_RNA) where: Base-Base interactions energy: -41.197 where: short stacking energy: -40.976 Base-Backbone interact. energy: -0.185 local terms energy: -39.089997 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -82.645188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.645188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.645188 (E_RNA) where: Base-Base interactions energy: -37.880 where: short stacking energy: -32.396 Base-Backbone interact. energy: -0.083 local terms energy: -44.681800 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -80.988986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.988986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.988986 (E_RNA) where: Base-Base interactions energy: -42.343 where: short stacking energy: -32.060 Base-Backbone interact. energy: -0.151 local terms energy: -38.495119 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -4.924 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -141.600385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.600385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.600385 (E_RNA) where: Base-Base interactions energy: -76.464 where: short stacking energy: -57.865 Base-Backbone interact. energy: -1.294 local terms energy: -63.841884 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -8.944 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: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -137.507862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.507862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.507862 (E_RNA) where: Base-Base interactions energy: -74.898 where: short stacking energy: -55.990 Base-Backbone interact. energy: -0.010 local terms energy: -62.599833 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -11.864 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -135.347709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.347709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.347709 (E_RNA) where: Base-Base interactions energy: -74.386 where: short stacking energy: -53.116 Base-Backbone interact. energy: -0.078 local terms energy: -60.884065 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -12.781 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: 7 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -109.509439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.509439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.509439 (E_RNA) where: Base-Base interactions energy: -51.956 where: short stacking energy: -37.894 Base-Backbone interact. energy: -0.118 local terms energy: -57.435363 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -9.690 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -85.332931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.332931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.332931 (E_RNA) where: Base-Base interactions energy: -34.478 where: short stacking energy: -34.478 Base-Backbone interact. energy: 0.214 local terms energy: -51.068204 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -101.225198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.225198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.225198 (E_RNA) where: Base-Base interactions energy: -48.630 where: short stacking energy: -40.596 Base-Backbone interact. energy: -0.055 local terms energy: -52.539668 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -11.113 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: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -87.719588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.719588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.719588 (E_RNA) where: Base-Base interactions energy: -35.784 where: short stacking energy: -32.575 Base-Backbone interact. energy: -1.040 local terms energy: -50.896227 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -12.315 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -89.128905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.128905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.128905 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -42.455 Base-Backbone interact. energy: -0.937 local terms energy: -48.721092 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -75.239921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.239921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.239921 (E_RNA) where: Base-Base interactions energy: -26.849 where: short stacking energy: -26.849 Base-Backbone interact. energy: -0.115 local terms energy: -48.275202 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -77.909141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.909141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.909141 (E_RNA) where: Base-Base interactions energy: -35.894 where: short stacking energy: -35.894 Base-Backbone interact. energy: -0.097 local terms energy: -41.917881 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -1.487 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -160.496017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.496017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.496017 (E_RNA) where: Base-Base interactions energy: -105.588 where: short stacking energy: -67.810 Base-Backbone interact. energy: -0.096 local terms energy: -54.811955 where: bonds (distance) C4'-P energy: -7.591 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -1.541 tors. eta vs tors. theta energy: -15.770 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -134.005409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.005409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.005409 (E_RNA) where: Base-Base interactions energy: -75.114 where: short stacking energy: -48.862 Base-Backbone interact. energy: -0.123 local terms energy: -58.768149 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -7.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -117.368542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.368542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.368542 (E_RNA) where: Base-Base interactions energy: -57.319 where: short stacking energy: -54.137 Base-Backbone interact. energy: 0.046 local terms energy: -60.095159 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -124.755444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.755444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.755444 (E_RNA) where: Base-Base interactions energy: -56.573 where: short stacking energy: -56.573 Base-Backbone interact. energy: -0.018 local terms energy: -68.164064 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -15.635 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -15.612 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: 6 Temperature: 1.100000 Total energy: -105.035537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.035537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.035537 (E_RNA) where: Base-Base interactions energy: -45.860 where: short stacking energy: -44.702 Base-Backbone interact. energy: -0.684 local terms energy: -58.492076 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -12.750 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: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -95.097346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.097346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.097346 (E_RNA) where: Base-Base interactions energy: -42.979 where: short stacking energy: -41.560 Base-Backbone interact. energy: -0.003 local terms energy: -52.114524 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -97.652376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.652376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.652376 (E_RNA) where: Base-Base interactions energy: -49.394 where: short stacking energy: -45.473 Base-Backbone interact. energy: -0.172 local terms energy: -48.086133 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -10.440 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -9.347 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: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -81.955580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.955580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.955580 (E_RNA) where: Base-Base interactions energy: -34.343 where: short stacking energy: -29.789 Base-Backbone interact. energy: -0.036 local terms energy: -47.576597 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -8.485 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -84.054632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.054632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.054632 (E_RNA) where: Base-Base interactions energy: -36.875 where: short stacking energy: -23.500 Base-Backbone interact. energy: -0.124 local terms energy: -47.055320 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -80.729862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.729862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.729862 (E_RNA) where: Base-Base interactions energy: -32.141 where: short stacking energy: -32.141 Base-Backbone interact. energy: -0.012 local terms energy: -48.576807 where: bonds (distance) C4'-P energy: -7.888 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -166.116396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.116396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.116396 (E_RNA) where: Base-Base interactions energy: -101.507 where: short stacking energy: -63.017 Base-Backbone interact. energy: -0.318 local terms energy: -64.291827 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -5.900 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: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -118.390190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.390190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.390190 (E_RNA) where: Base-Base interactions energy: -62.991 where: short stacking energy: -54.643 Base-Backbone interact. energy: -0.859 local terms energy: -54.540206 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -11.702 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -118.697869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.697869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.697869 (E_RNA) where: Base-Base interactions energy: -66.434 where: short stacking energy: -40.332 Base-Backbone interact. energy: -0.127 local terms energy: -52.136412 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -113.522348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.522348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.522348 (E_RNA) where: Base-Base interactions energy: -60.197 where: short stacking energy: -60.197 Base-Backbone interact. energy: -0.058 local terms energy: -53.267411 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -9.508 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: 5, replica: 7 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -94.552045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.552045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.552045 (E_RNA) where: Base-Base interactions energy: -47.613 where: short stacking energy: -38.045 Base-Backbone interact. energy: -0.021 local terms energy: -46.918617 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -10.086 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -0.159 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: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -90.860091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.860091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.860091 (E_RNA) where: Base-Base interactions energy: -42.120 where: short stacking energy: -40.916 Base-Backbone interact. energy: -0.195 local terms energy: -48.544740 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -90.395749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.395749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.395749 (E_RNA) where: Base-Base interactions energy: -43.859 where: short stacking energy: -43.859 Base-Backbone interact. energy: -0.221 local terms energy: -46.315687 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -77.353214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.353214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.353214 (E_RNA) where: Base-Base interactions energy: -38.137 where: short stacking energy: -29.131 Base-Backbone interact. energy: 1.352 local terms energy: -40.568927 where: bonds (distance) C4'-P energy: -10.269 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -76.844790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.844790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.844790 (E_RNA) where: Base-Base interactions energy: -34.527 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.250 local terms energy: -42.067774 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -10.324 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -84.807700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.807700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.807700 (E_RNA) where: Base-Base interactions energy: -34.443 where: short stacking energy: -34.231 Base-Backbone interact. energy: -0.004 local terms energy: -50.359924 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -146.180031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.180031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.180031 (E_RNA) where: Base-Base interactions energy: -91.799 where: short stacking energy: -55.101 Base-Backbone interact. energy: -0.107 local terms energy: -54.274000 where: bonds (distance) C4'-P energy: -10.960 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -13.741 flat angles P-C4'-P energy: -3.905 tors. eta vs tors. theta energy: -11.999 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: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -138.303518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.303518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.303518 (E_RNA) where: Base-Base interactions energy: -74.533 where: short stacking energy: -72.896 Base-Backbone interact. energy: -0.135 local terms energy: -63.635821 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -16.996 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: 6 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -116.958446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.958446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.958446 (E_RNA) where: Base-Base interactions energy: -58.699 where: short stacking energy: -58.699 Base-Backbone interact. energy: -0.000 local terms energy: -58.259393 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -9.712 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -15.809 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: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -99.102062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.102062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.102062 (E_RNA) where: Base-Base interactions energy: -43.405 where: short stacking energy: -43.405 Base-Backbone interact. energy: -0.104 local terms energy: -55.592501 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -9.550 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: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -104.085729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.085729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.085729 (E_RNA) where: Base-Base interactions energy: -52.289 where: short stacking energy: -52.289 Base-Backbone interact. energy: -0.002 local terms energy: -51.794974 where: bonds (distance) C4'-P energy: -11.933 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -7.936 tors. eta vs tors. theta energy: -11.039 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: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -97.917137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.917137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.917137 (E_RNA) where: Base-Base interactions energy: -46.551 where: short stacking energy: -46.551 Base-Backbone interact. energy: -0.130 local terms energy: -51.236908 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -9.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -105.859480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.859480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.859480 (E_RNA) where: Base-Base interactions energy: -55.911 where: short stacking energy: -33.561 Base-Backbone interact. energy: -0.003 local terms energy: -49.945991 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -8.459 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: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -90.841120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.841120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.841120 (E_RNA) where: Base-Base interactions energy: -40.771 where: short stacking energy: -39.767 Base-Backbone interact. energy: -0.157 local terms energy: -49.912702 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -9.111 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -8.904 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: 8 Temperature: 1.300000 Total energy: -77.209852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.209852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.209852 (E_RNA) where: Base-Base interactions energy: -33.771 where: short stacking energy: -33.546 Base-Backbone interact. energy: -0.141 local terms energy: -43.297780 where: bonds (distance) C4'-P energy: -10.343 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -78.647143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.647143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.647143 (E_RNA) where: Base-Base interactions energy: -37.872 where: short stacking energy: -37.872 Base-Backbone interact. energy: -0.124 local terms energy: -40.651149 where: bonds (distance) C4'-P energy: -7.230 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -161.733550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.733550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.733550 (E_RNA) where: Base-Base interactions energy: -102.360 where: short stacking energy: -63.376 Base-Backbone interact. energy: 1.373 local terms energy: -60.746547 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -9.690 flat angles P-C4'-P energy: -10.069 tors. eta vs tors. theta energy: -15.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -143.732817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.732817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.732817 (E_RNA) where: Base-Base interactions energy: -74.157 where: short stacking energy: -62.733 Base-Backbone interact. energy: -0.268 local terms energy: -69.308518 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -16.465 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: 3, replica: 6 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -129.786650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.786650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.786650 (E_RNA) where: Base-Base interactions energy: -70.424 where: short stacking energy: -50.314 Base-Backbone interact. energy: 0.426 local terms energy: -59.788530 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -10.272 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: 9 Temperature: 1.050000 Total energy: -120.766912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.766912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.766912 (E_RNA) where: Base-Base interactions energy: -75.885 where: short stacking energy: -51.453 Base-Backbone interact. energy: -0.370 local terms energy: -44.512022 where: bonds (distance) C4'-P energy: -8.054 bonds (distance) P-C4' energy: -11.161 flat angles C4'-P-C4' energy: -9.763 flat angles P-C4'-P energy: -6.646 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: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -104.541362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.541362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.541362 (E_RNA) where: Base-Base interactions energy: -51.228 where: short stacking energy: -40.909 Base-Backbone interact. energy: 0.166 local terms energy: -53.479388 where: bonds (distance) C4'-P energy: -11.067 bonds (distance) P-C4' energy: -11.771 flat angles C4'-P-C4' energy: -14.968 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -7.372 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: 9 Temperature: 1.150000 Total energy: -89.248314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.248314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.248314 (E_RNA) where: Base-Base interactions energy: -46.781 where: short stacking energy: -35.751 Base-Backbone interact. energy: -0.267 local terms energy: -42.200532 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -11.687 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -99.758909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.758909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.758909 (E_RNA) where: Base-Base interactions energy: -45.778 where: short stacking energy: -38.701 Base-Backbone interact. energy: -0.809 local terms energy: -53.171875 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -11.062 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -93.259066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.259066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.259066 (E_RNA) where: Base-Base interactions energy: -44.059 where: short stacking energy: -44.059 Base-Backbone interact. energy: -0.007 local terms energy: -49.193573 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -8.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -78.134785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.134785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.134785 (E_RNA) where: Base-Base interactions energy: -35.232 where: short stacking energy: -34.819 Base-Backbone interact. energy: -0.012 local terms energy: -42.891124 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -78.786275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.786275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.786275 (E_RNA) where: Base-Base interactions energy: -35.716 where: short stacking energy: -30.106 Base-Backbone interact. energy: -0.298 local terms energy: -42.772511 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -159.102199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.102199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.102199 (E_RNA) where: Base-Base interactions energy: -92.892 where: short stacking energy: -55.107 Base-Backbone interact. energy: -0.025 local terms energy: -66.185585 where: bonds (distance) C4'-P energy: -15.381 bonds (distance) P-C4' energy: -14.330 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -9.946 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: 2, replica: 1 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -127.720313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.720313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.720313 (E_RNA) where: Base-Base interactions energy: -69.909 where: short stacking energy: -58.816 Base-Backbone interact. energy: -0.005 local terms energy: -57.806594 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -15.936 flat angles C4'-P-C4' energy: -9.588 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -10.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -126.302068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.302068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.302068 (E_RNA) where: Base-Base interactions energy: -68.625 where: short stacking energy: -49.072 Base-Backbone interact. energy: -0.018 local terms energy: -57.659628 where: bonds (distance) C4'-P energy: -11.859 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -10.544 tors. eta vs tors. theta energy: -11.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -111.547009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.547009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.547009 (E_RNA) where: Base-Base interactions energy: -52.805 where: short stacking energy: -51.099 Base-Backbone interact. energy: -0.124 local terms energy: -58.617921 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -9.958 tors. eta vs tors. theta energy: -11.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -107.390343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.390343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.390343 (E_RNA) where: Base-Base interactions energy: -49.368 where: short stacking energy: -49.368 Base-Backbone interact. energy: -0.020 local terms energy: -58.002331 where: bonds (distance) C4'-P energy: -11.038 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -11.011 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: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -84.668636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.668636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.668636 (E_RNA) where: Base-Base interactions energy: -38.068 where: short stacking energy: -36.552 Base-Backbone interact. energy: 0.022 local terms energy: -46.622426 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -88.744592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.744592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.744592 (E_RNA) where: Base-Base interactions energy: -33.353 where: short stacking energy: -28.403 Base-Backbone interact. energy: -0.885 local terms energy: -54.506452 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -11.509 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -8.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -79.442376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.442376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.442376 (E_RNA) where: Base-Base interactions energy: -30.732 where: short stacking energy: -27.189 Base-Backbone interact. energy: 0.377 local terms energy: -49.087332 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -79.846342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.846342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.846342 (E_RNA) where: Base-Base interactions energy: -46.517 where: short stacking energy: -38.483 Base-Backbone interact. energy: 3.308 local terms energy: -36.637532 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -1.888 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: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -68.522876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.522876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.522876 (E_RNA) where: Base-Base interactions energy: -25.626 where: short stacking energy: -23.690 Base-Backbone interact. energy: -0.234 local terms energy: -42.662089 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -152.142393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.142393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.142393 (E_RNA) where: Base-Base interactions energy: -93.811 where: short stacking energy: -57.402 Base-Backbone interact. energy: -0.462 local terms energy: -57.869541 where: bonds (distance) C4'-P energy: -9.544 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -9.316 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -14.974 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: 6 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -122.896301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.896301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.896301 (E_RNA) where: Base-Base interactions energy: -69.150 where: short stacking energy: -48.578 Base-Backbone interact. energy: -0.038 local terms energy: -53.708620 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -10.459 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -9.638 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: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -110.753290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.753290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.753290 (E_RNA) where: Base-Base interactions energy: -60.626 where: short stacking energy: -45.310 Base-Backbone interact. energy: -0.115 local terms energy: -50.012334 where: bonds (distance) C4'-P energy: -9.805 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -106.366818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.366818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.366818 (E_RNA) where: Base-Base interactions energy: -55.336 where: short stacking energy: -50.167 Base-Backbone interact. energy: -0.148 local terms energy: -50.882405 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -95.749750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.749750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.749750 (E_RNA) where: Base-Base interactions energy: -42.744 where: short stacking energy: -42.744 Base-Backbone interact. energy: -0.117 local terms energy: -52.888878 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.452 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -91.775563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.775563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.775563 (E_RNA) where: Base-Base interactions energy: -37.954 where: short stacking energy: -32.115 Base-Backbone interact. energy: 0.521 local terms energy: -54.342059 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -8.718 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: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -98.525094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.525094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.525094 (E_RNA) where: Base-Base interactions energy: -41.303 where: short stacking energy: -37.273 Base-Backbone interact. energy: -0.063 local terms energy: -57.159155 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -9.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -89.162926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.162926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.162926 (E_RNA) where: Base-Base interactions energy: -45.192 where: short stacking energy: -24.568 Base-Backbone interact. energy: -0.195 local terms energy: -43.775750 where: bonds (distance) C4'-P energy: -10.054 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -2.577 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: 9, replica: 9 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -66.807800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.807800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.807800 (E_RNA) where: Base-Base interactions energy: -26.004 where: short stacking energy: -26.004 Base-Backbone interact. energy: 0.570 local terms energy: -41.373771 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -81.995097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.995097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.995097 (E_RNA) where: Base-Base interactions energy: -32.000 where: short stacking energy: -32.000 Base-Backbone interact. energy: -0.110 local terms energy: -49.885768 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -9.167 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -156.862952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.862952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.862952 (E_RNA) where: Base-Base interactions energy: -85.141 where: short stacking energy: -64.582 Base-Backbone interact. energy: -1.218 local terms energy: -70.503724 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -16.341 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -17.787 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: 12 Temperature: 0.950000 Total energy: -122.732081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.732081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.732081 (E_RNA) where: Base-Base interactions energy: -65.272 where: short stacking energy: -44.159 Base-Backbone interact. energy: -1.887 local terms energy: -55.573573 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -8.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -124.503431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.503431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.503431 (E_RNA) where: Base-Base interactions energy: -66.666 where: short stacking energy: -56.771 Base-Backbone interact. energy: 1.018 local terms energy: -58.855377 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -9.994 flat angles C4'-P-C4' energy: -12.990 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -131.991473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.991473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.991473 (E_RNA) where: Base-Base interactions energy: -66.998 where: short stacking energy: -66.998 Base-Backbone interact. energy: -0.512 local terms energy: -64.481716 where: bonds (distance) C4'-P energy: -13.130 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -21.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -108.021277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.021277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.021277 (E_RNA) where: Base-Base interactions energy: -47.740 where: short stacking energy: -47.740 Base-Backbone interact. energy: -0.000 local terms energy: -60.280726 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -11.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -94.201861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.201861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.201861 (E_RNA) where: Base-Base interactions energy: -42.244 where: short stacking energy: -42.244 Base-Backbone interact. energy: -0.009 local terms energy: -51.948750 where: bonds (distance) C4'-P energy: -9.159 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -7.947 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: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -88.997909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.997909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.997909 (E_RNA) where: Base-Base interactions energy: -39.807 where: short stacking energy: -40.007 Base-Backbone interact. energy: 0.276 local terms energy: -49.467048 where: bonds (distance) C4'-P energy: -10.153 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -8.592 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -93.861931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.861931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.861931 (E_RNA) where: Base-Base interactions energy: -41.074 where: short stacking energy: -39.821 Base-Backbone interact. energy: -0.001 local terms energy: -52.786568 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -11.539 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -85.293555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.293555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.293555 (E_RNA) where: Base-Base interactions energy: -30.583 where: short stacking energy: -30.488 Base-Backbone interact. energy: -0.024 local terms energy: -54.686427 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -10.554 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -79.093522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.093522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.093522 (E_RNA) where: Base-Base interactions energy: -35.757 where: short stacking energy: -29.275 Base-Backbone interact. energy: -0.132 local terms energy: -43.204844 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -9.267 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -158.907357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.907357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.907357 (E_RNA) where: Base-Base interactions energy: -92.609 where: short stacking energy: -68.997 Base-Backbone interact. energy: -0.000 local terms energy: -66.297507 where: bonds (distance) C4'-P energy: -13.829 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -14.788 flat angles P-C4'-P energy: -8.073 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: 2, replica: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -139.013428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.013428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.013428 (E_RNA) where: Base-Base interactions energy: -77.914 where: short stacking energy: -64.019 Base-Backbone interact. energy: -0.191 local terms energy: -60.908549 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -10.384 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: 3, replica: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -123.705108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.705108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.705108 (E_RNA) where: Base-Base interactions energy: -63.915 where: short stacking energy: -36.128 Base-Backbone interact. energy: -1.258 local terms energy: -58.531761 where: bonds (distance) C4'-P energy: -14.475 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -115.629690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.629690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.629690 (E_RNA) where: Base-Base interactions energy: -55.656 where: short stacking energy: -53.536 Base-Backbone interact. energy: -0.014 local terms energy: -59.960165 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -10.870 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: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -97.790569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.790569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.790569 (E_RNA) where: Base-Base interactions energy: -47.675 where: short stacking energy: -47.675 Base-Backbone interact. energy: -0.096 local terms energy: -50.019072 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -9.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -111.527105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.527105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.527105 (E_RNA) where: Base-Base interactions energy: -60.811 where: short stacking energy: -40.105 Base-Backbone interact. energy: -0.602 local terms energy: -50.114415 where: bonds (distance) C4'-P energy: -11.105 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -92.767221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.767221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.767221 (E_RNA) where: Base-Base interactions energy: -42.945 where: short stacking energy: -41.814 Base-Backbone interact. energy: -0.173 local terms energy: -49.649834 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -10.464 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -81.246320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.246320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.246320 (E_RNA) where: Base-Base interactions energy: -34.469 where: short stacking energy: -34.469 Base-Backbone interact. energy: -0.084 local terms energy: -46.693299 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -1.711 tors. eta vs tors. theta energy: -9.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -78.230742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.230742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.230742 (E_RNA) where: Base-Base interactions energy: -34.847 where: short stacking energy: -34.847 Base-Backbone interact. energy: -0.074 local terms energy: -43.308840 where: bonds (distance) C4'-P energy: -9.118 bonds (distance) P-C4' energy: -7.221 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -73.602527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.602527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.602527 (E_RNA) where: Base-Base interactions energy: -26.751 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.310 local terms energy: -46.541831 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: 2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -159.844142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.844142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.844142 (E_RNA) where: Base-Base interactions energy: -86.090 where: short stacking energy: -70.050 Base-Backbone interact. energy: -0.146 local terms energy: -73.607712 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -12.858 tors. eta vs tors. theta energy: -19.969 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: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -123.979654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.979654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.979654 (E_RNA) where: Base-Base interactions energy: -63.275 where: short stacking energy: -50.155 Base-Backbone interact. energy: -0.004 local terms energy: -60.700749 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -16.419 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -7.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -121.791704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.791704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.791704 (E_RNA) where: Base-Base interactions energy: -61.607 where: short stacking energy: -51.290 Base-Backbone interact. energy: -0.165 local terms energy: -60.020236 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -104.372858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.372858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.372858 (E_RNA) where: Base-Base interactions energy: -54.463 where: short stacking energy: -54.463 Base-Backbone interact. energy: -0.021 local terms energy: -49.889060 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -12.776 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -99.700100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.700100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.700100 (E_RNA) where: Base-Base interactions energy: -51.135 where: short stacking energy: -51.135 Base-Backbone interact. energy: -0.088 local terms energy: -48.477446 where: bonds (distance) C4'-P energy: -4.141 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -11.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -110.258244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.258244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.258244 (E_RNA) where: Base-Base interactions energy: -50.950 where: short stacking energy: -50.950 Base-Backbone interact. energy: -0.001 local terms energy: -59.306849 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -11.320 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -15.020 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: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -100.954658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.954658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.954658 (E_RNA) where: Base-Base interactions energy: -49.899 where: short stacking energy: -44.220 Base-Backbone interact. energy: -0.001 local terms energy: -51.054131 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -11.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -82.056242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.056242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.056242 (E_RNA) where: Base-Base interactions energy: -32.813 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.139 local terms energy: -49.104472 where: bonds (distance) C4'-P energy: -10.161 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -78.522735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.522735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.522735 (E_RNA) where: Base-Base interactions energy: -36.157 where: short stacking energy: -35.460 Base-Backbone interact. energy: -0.007 local terms energy: -42.358863 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -13.154 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -73.056533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.056533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.056533 (E_RNA) where: Base-Base interactions energy: -31.449 where: short stacking energy: -29.399 Base-Backbone interact. energy: -0.170 local terms energy: -41.437211 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -152.817005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.817005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.817005 (E_RNA) where: Base-Base interactions energy: -94.006 where: short stacking energy: -61.639 Base-Backbone interact. energy: -0.385 local terms energy: -58.426122 where: bonds (distance) C4'-P energy: -10.186 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -5.268 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: 2, replica: 6 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -121.436093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.436093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.436093 (E_RNA) where: Base-Base interactions energy: -57.516 where: short stacking energy: -57.469 Base-Backbone interact. energy: -0.995 local terms energy: -62.924860 where: bonds (distance) C4'-P energy: -10.261 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -12.128 tors. eta vs tors. theta energy: -14.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -117.945145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.945145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.945145 (E_RNA) where: Base-Base interactions energy: -52.586 where: short stacking energy: -52.586 Base-Backbone interact. energy: 0.768 local terms energy: -66.127554 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -13.263 tors. eta vs tors. theta energy: -13.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -109.456138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.456138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.456138 (E_RNA) where: Base-Base interactions energy: -48.340 where: short stacking energy: -48.340 Base-Backbone interact. energy: -0.000 local terms energy: -61.115682 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -12.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -134.451619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.451619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.451619 (E_RNA) where: Base-Base interactions energy: -77.590 where: short stacking energy: -44.222 Base-Backbone interact. energy: -0.151 local terms energy: -56.710273 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -99.738826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.738826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.738826 (E_RNA) where: Base-Base interactions energy: -43.791 where: short stacking energy: -41.216 Base-Backbone interact. energy: -0.561 local terms energy: -55.386858 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -6.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -105.149666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.149666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.149666 (E_RNA) where: Base-Base interactions energy: -47.015 where: short stacking energy: -47.015 Base-Backbone interact. energy: -0.100 local terms energy: -58.035295 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -13.172 tors. eta vs tors. theta energy: -10.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -80.035703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.035703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.035703 (E_RNA) where: Base-Base interactions energy: -41.901 where: short stacking energy: -32.584 Base-Backbone interact. energy: -0.404 local terms energy: -37.730511 where: bonds (distance) C4'-P energy: -10.959 bonds (distance) P-C4' energy: -13.670 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -2.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -89.387269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.387269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.387269 (E_RNA) where: Base-Base interactions energy: -34.016 where: short stacking energy: -34.016 Base-Backbone interact. energy: -0.008 local terms energy: -55.363189 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -12.151 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -9.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -77.575277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.575277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.575277 (E_RNA) where: Base-Base interactions energy: -34.573 where: short stacking energy: -23.579 Base-Backbone interact. energy: 1.726 local terms energy: -44.727849 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: 3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -166.391598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.391598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.391598 (E_RNA) where: Base-Base interactions energy: -102.229 where: short stacking energy: -52.647 Base-Backbone interact. energy: -0.009 local terms energy: -64.153295 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -11.577 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: 2, replica: 6 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -126.695398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.695398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.695398 (E_RNA) where: Base-Base interactions energy: -75.897 where: short stacking energy: -38.935 Base-Backbone interact. energy: 0.324 local terms energy: -51.122402 where: bonds (distance) C4'-P energy: -15.141 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -9.972 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -112.712944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.712944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.712944 (E_RNA) where: Base-Base interactions energy: -56.093 where: short stacking energy: -56.093 Base-Backbone interact. energy: -0.018 local terms energy: -56.601276 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -9.774 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -120.560907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.560907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.560907 (E_RNA) where: Base-Base interactions energy: -62.796 where: short stacking energy: -49.750 Base-Backbone interact. energy: -0.111 local terms energy: -57.653724 where: bonds (distance) C4'-P energy: -13.161 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: -8.818 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: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -142.610174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.610174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.610174 (E_RNA) where: Base-Base interactions energy: -88.209 where: short stacking energy: -53.028 Base-Backbone interact. energy: -0.105 local terms energy: -54.296010 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -11.464 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -10.288 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: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -88.673786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.673786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.673786 (E_RNA) where: Base-Base interactions energy: -33.215 where: short stacking energy: -33.215 Base-Backbone interact. energy: -0.017 local terms energy: -55.441691 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -6.823 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: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -81.095294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.095294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.095294 (E_RNA) where: Base-Base interactions energy: -36.148 where: short stacking energy: -28.742 Base-Backbone interact. energy: -0.073 local terms energy: -44.874511 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -10.370 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -93.299437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.299437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.299437 (E_RNA) where: Base-Base interactions energy: -49.310 where: short stacking energy: -27.376 Base-Backbone interact. energy: -0.021 local terms energy: -43.968768 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -10.507 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -79.472215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.472215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.472215 (E_RNA) where: Base-Base interactions energy: -40.260 where: short stacking energy: -40.260 Base-Backbone interact. energy: -0.225 local terms energy: -38.986605 where: bonds (distance) C4'-P energy: -9.482 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -8.775 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -73.143096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.143096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.143096 (E_RNA) where: Base-Base interactions energy: -37.116 where: short stacking energy: -27.690 Base-Backbone interact. energy: -0.129 local terms energy: -35.898899 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -170.161286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.161286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.161286 (E_RNA) where: Base-Base interactions energy: -111.176 where: short stacking energy: -58.297 Base-Backbone interact. energy: -0.709 local terms energy: -58.276274 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -11.187 tors. eta vs tors. theta energy: -11.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -137.522661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.522661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.522661 (E_RNA) where: Base-Base interactions energy: -73.994 where: short stacking energy: -58.325 Base-Backbone interact. energy: 0.572 local terms energy: -64.099931 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -14.544 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: 17 Temperature: 1.000000 Total energy: -121.628997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.628997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.628997 (E_RNA) where: Base-Base interactions energy: -60.754 where: short stacking energy: -59.196 Base-Backbone interact. energy: -0.089 local terms energy: -60.785995 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -12.975 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -8.745 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: 4, replica: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -139.250997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.250997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.250997 (E_RNA) where: Base-Base interactions energy: -86.491 where: short stacking energy: -55.704 Base-Backbone interact. energy: -0.016 local terms energy: -52.744018 where: bonds (distance) C4'-P energy: -5.536 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -13.800 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: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -113.876057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.876057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.876057 (E_RNA) where: Base-Base interactions energy: -62.227 where: short stacking energy: -45.089 Base-Backbone interact. energy: -0.043 local terms energy: -51.605546 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -8.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -101.999240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.999240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.999240 (E_RNA) where: Base-Base interactions energy: -45.104 where: short stacking energy: -42.216 Base-Backbone interact. energy: -0.060 local terms energy: -56.835393 where: bonds (distance) C4'-P energy: -15.448 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -8.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -85.066715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.066715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.066715 (E_RNA) where: Base-Base interactions energy: -41.076 where: short stacking energy: -37.765 Base-Backbone interact. energy: -0.019 local terms energy: -43.971169 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -82.305194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.305194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.305194 (E_RNA) where: Base-Base interactions energy: -38.678 where: short stacking energy: -37.630 Base-Backbone interact. energy: -0.117 local terms energy: -43.510401 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -8.874 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -7.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -79.443848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.443848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.443848 (E_RNA) where: Base-Base interactions energy: -35.945 where: short stacking energy: -35.945 Base-Backbone interact. energy: -0.017 local terms energy: -43.481474 where: bonds (distance) C4'-P energy: -13.890 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -87.465760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.465760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.465760 (E_RNA) where: Base-Base interactions energy: -40.675 where: short stacking energy: -40.675 Base-Backbone interact. energy: -0.042 local terms energy: -46.748630 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -172.987414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.987414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.987414 (E_RNA) where: Base-Base interactions energy: -108.751 where: short stacking energy: -60.680 Base-Backbone interact. energy: -0.013 local terms energy: -64.223582 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -14.218 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: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -128.725160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.725160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.725160 (E_RNA) where: Base-Base interactions energy: -65.530 where: short stacking energy: -50.074 Base-Backbone interact. energy: -0.721 local terms energy: -62.474679 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -13.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -153.998280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.998280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.998280 (E_RNA) where: Base-Base interactions energy: -93.848 where: short stacking energy: -58.939 Base-Backbone interact. energy: -0.684 local terms energy: -59.466654 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -11.762 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: 18 Temperature: 1.050000 Total energy: -99.688852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.688852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.688852 (E_RNA) where: Base-Base interactions energy: -48.138 where: short stacking energy: -47.785 Base-Backbone interact. energy: -0.262 local terms energy: -51.288362 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -9.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -113.059145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.059145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.059145 (E_RNA) where: Base-Base interactions energy: -51.087 where: short stacking energy: -50.906 Base-Backbone interact. energy: -0.049 local terms energy: -61.922553 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -13.051 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -91.765165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.765165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.765165 (E_RNA) where: Base-Base interactions energy: -48.584 where: short stacking energy: -44.638 Base-Backbone interact. energy: -0.010 local terms energy: -43.170932 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -10.890 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -90.657167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.657167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.657167 (E_RNA) where: Base-Base interactions energy: -47.031 where: short stacking energy: -28.541 Base-Backbone interact. energy: -0.412 local terms energy: -43.214559 where: bonds (distance) C4'-P energy: -14.466 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: 1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -110.192483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.192483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.192483 (E_RNA) where: Base-Base interactions energy: -57.060 where: short stacking energy: -34.857 Base-Backbone interact. energy: -0.279 local terms energy: -52.853047 where: bonds (distance) C4'-P energy: -16.130 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -74.611696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.611696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.611696 (E_RNA) where: Base-Base interactions energy: -33.062 where: short stacking energy: -33.062 Base-Backbone interact. energy: -0.063 local terms energy: -41.485977 where: bonds (distance) C4'-P energy: -8.075 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -6.156 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -4.668 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: 18 Temperature: 1.350000 Total energy: -78.737717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.737717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.737717 (E_RNA) where: Base-Base interactions energy: -34.015 where: short stacking energy: -33.098 Base-Backbone interact. energy: -0.041 local terms energy: -44.682233 where: bonds (distance) C4'-P energy: -12.429 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -179.030560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.030560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.030560 (E_RNA) where: Base-Base interactions energy: -110.568 where: short stacking energy: -60.076 Base-Backbone interact. energy: -1.219 local terms energy: -67.243858 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -15.131 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: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -165.879893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.879893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.879893 (E_RNA) where: Base-Base interactions energy: -97.357 where: short stacking energy: -56.216 Base-Backbone interact. energy: -0.002 local terms energy: -68.520307 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -15.721 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -124.383148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.383148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.383148 (E_RNA) where: Base-Base interactions energy: -62.833 where: short stacking energy: -42.207 Base-Backbone interact. energy: -0.126 local terms energy: -61.423911 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -10.299 tors. eta vs tors. theta energy: -13.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -95.487742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.487742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.487742 (E_RNA) where: Base-Base interactions energy: -44.620 where: short stacking energy: -39.203 Base-Backbone interact. energy: -0.156 local terms energy: -50.711539 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -8.102 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: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -107.244699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.244699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.244699 (E_RNA) where: Base-Base interactions energy: -48.349 where: short stacking energy: -48.349 Base-Backbone interact. energy: -0.004 local terms energy: -58.891884 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -9.596 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: 1 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -93.548822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.548822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.548822 (E_RNA) where: Base-Base interactions energy: -46.411 where: short stacking energy: -46.411 Base-Backbone interact. energy: -0.054 local terms energy: -47.083473 where: bonds (distance) C4'-P energy: -7.297 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -3.884 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: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -96.301709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.301709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.301709 (E_RNA) where: Base-Base interactions energy: -40.455 where: short stacking energy: -40.411 Base-Backbone interact. energy: -0.089 local terms energy: -55.757123 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -13.210 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -74.800174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.800174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.800174 (E_RNA) where: Base-Base interactions energy: -39.388 where: short stacking energy: -32.152 Base-Backbone interact. energy: -0.258 local terms energy: -35.154753 where: bonds (distance) C4'-P energy: -7.242 bonds (distance) P-C4' energy: -9.514 flat angles C4'-P-C4' energy: -10.228 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -73.948408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.948408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.948408 (E_RNA) where: Base-Base interactions energy: -38.495 where: short stacking energy: -31.009 Base-Backbone interact. energy: -0.439 local terms energy: -35.014437 where: bonds (distance) C4'-P energy: -10.045 bonds (distance) P-C4' energy: -9.150 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -1.395 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: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -83.994877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.994877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.994877 (E_RNA) where: Base-Base interactions energy: -38.760 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.302 local terms energy: -44.933015 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -11.349 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -5.743 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -174.300634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.300634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.300634 (E_RNA) where: Base-Base interactions energy: -115.076 where: short stacking energy: -59.929 Base-Backbone interact. energy: -0.022 local terms energy: -59.202401 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -14.217 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -15.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -167.755517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.755517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.755517 (E_RNA) where: Base-Base interactions energy: -105.633 where: short stacking energy: -70.670 Base-Backbone interact. energy: -0.011 local terms energy: -62.112466 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -19.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -107.294296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.294296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.294296 (E_RNA) where: Base-Base interactions energy: -53.984 where: short stacking energy: -47.842 Base-Backbone interact. energy: -0.300 local terms energy: -53.010032 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -7.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -114.640461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.640461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.640461 (E_RNA) where: Base-Base interactions energy: -57.415 where: short stacking energy: -41.299 Base-Backbone interact. energy: -0.096 local terms energy: -57.129458 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -9.042 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: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -97.535344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.535344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.535344 (E_RNA) where: Base-Base interactions energy: -41.858 where: short stacking energy: -33.400 Base-Backbone interact. energy: -0.574 local terms energy: -55.103323 where: bonds (distance) C4'-P energy: -11.163 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -10.098 tors. eta vs tors. theta energy: -6.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -91.463257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.463257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.463257 (E_RNA) where: Base-Base interactions energy: -43.386 where: short stacking energy: -30.376 Base-Backbone interact. energy: -0.378 local terms energy: -47.699846 where: bonds (distance) C4'-P energy: -10.208 bonds (distance) P-C4' energy: -12.114 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -94.103110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.103110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.103110 (E_RNA) where: Base-Base interactions energy: -41.943 where: short stacking energy: -34.859 Base-Backbone interact. energy: 0.155 local terms energy: -52.315045 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -6.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -84.620058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.620058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.620058 (E_RNA) where: Base-Base interactions energy: -44.711 where: short stacking energy: -40.716 Base-Backbone interact. energy: -0.045 local terms energy: -39.863580 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -7.331 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -9.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -79.297717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.297717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.297717 (E_RNA) where: Base-Base interactions energy: -31.840 where: short stacking energy: -22.340 Base-Backbone interact. energy: -0.028 local terms energy: -47.430217 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -8.459 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: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -93.707664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.707664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.707664 (E_RNA) where: Base-Base interactions energy: -41.500 where: short stacking energy: -41.500 Base-Backbone interact. energy: -0.013 local terms energy: -52.195093 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -3.648 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: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -177.313027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.313027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.313027 (E_RNA) where: Base-Base interactions energy: -108.477 where: short stacking energy: -69.705 Base-Backbone interact. energy: -0.043 local terms energy: -68.792989 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -153.475740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.475740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.475740 (E_RNA) where: Base-Base interactions energy: -90.673 where: short stacking energy: -56.690 Base-Backbone interact. energy: 2.674 local terms energy: -65.476183 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -7.587 tors. eta vs tors. theta energy: -17.083 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: 8 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -101.398997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.398997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.398997 (E_RNA) where: Base-Base interactions energy: -45.277 where: short stacking energy: -45.277 Base-Backbone interact. energy: -0.028 local terms energy: -56.093177 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -12.611 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -10.768 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: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -121.797188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.797188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.797188 (E_RNA) where: Base-Base interactions energy: -65.968 where: short stacking energy: -46.263 Base-Backbone interact. energy: -0.090 local terms energy: -55.739185 where: bonds (distance) C4'-P energy: -8.000 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -11.245 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: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -100.082479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.082479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.082479 (E_RNA) where: Base-Base interactions energy: -51.593 where: short stacking energy: -37.309 Base-Backbone interact. energy: -0.074 local terms energy: -48.414956 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -95.543814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.543814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.543814 (E_RNA) where: Base-Base interactions energy: -45.167 where: short stacking energy: -40.322 Base-Backbone interact. energy: -0.048 local terms energy: -50.329231 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -5.130 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: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -90.471351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.471351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.471351 (E_RNA) where: Base-Base interactions energy: -47.464 where: short stacking energy: -41.022 Base-Backbone interact. energy: -0.349 local terms energy: -42.658097 where: bonds (distance) C4'-P energy: -9.113 bonds (distance) P-C4' energy: -11.809 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -115.181764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.181764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.181764 (E_RNA) where: Base-Base interactions energy: -67.905 where: short stacking energy: -37.551 Base-Backbone interact. energy: -0.232 local terms energy: -47.044301 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -10.085 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -83.087378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.087378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.087378 (E_RNA) where: Base-Base interactions energy: -38.780 where: short stacking energy: -35.407 Base-Backbone interact. energy: -0.172 local terms energy: -44.134976 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -82.793723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.793723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.793723 (E_RNA) where: Base-Base interactions energy: -43.251 where: short stacking energy: -27.372 Base-Backbone interact. energy: -0.123 local terms energy: -39.420077 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -1.752 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -174.572329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.572329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.572329 (E_RNA) where: Base-Base interactions energy: -107.433 where: short stacking energy: -60.503 Base-Backbone interact. energy: -0.001 local terms energy: -67.138570 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -17.861 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: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -148.190282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.190282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.190282 (E_RNA) where: Base-Base interactions energy: -93.957 where: short stacking energy: -62.635 Base-Backbone interact. energy: -0.462 local terms energy: -53.771446 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -13.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -114.173732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.173732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.173732 (E_RNA) where: Base-Base interactions energy: -55.817 where: short stacking energy: -44.131 Base-Backbone interact. energy: -0.096 local terms energy: -58.260432 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.672 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -8.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -114.751178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.751178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.751178 (E_RNA) where: Base-Base interactions energy: -53.250 where: short stacking energy: -47.997 Base-Backbone interact. energy: -0.075 local terms energy: -61.426205 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -15.052 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -5.890 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: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -109.236303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.236303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.236303 (E_RNA) where: Base-Base interactions energy: -51.125 where: short stacking energy: -51.125 Base-Backbone interact. energy: -0.000 local terms energy: -58.111034 where: bonds (distance) C4'-P energy: -10.081 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -12.245 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: 22 Temperature: 1.150000 Total energy: -84.143960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.143960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.143960 (E_RNA) where: Base-Base interactions energy: -43.426 where: short stacking energy: -29.785 Base-Backbone interact. energy: -0.350 local terms energy: -40.367821 where: bonds (distance) C4'-P energy: -8.186 bonds (distance) P-C4' energy: -7.195 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -112.170331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.170331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.170331 (E_RNA) where: Base-Base interactions energy: -68.962 where: short stacking energy: -44.830 Base-Backbone interact. energy: 0.723 local terms energy: -43.931789 where: bonds (distance) C4'-P energy: -7.834 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -5.486 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: 22 Temperature: 1.250000 Total energy: -83.057389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.057389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.057389 (E_RNA) where: Base-Base interactions energy: -33.208 where: short stacking energy: -33.208 Base-Backbone interact. energy: -0.448 local terms energy: -49.401229 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -82.427319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.427319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.427319 (E_RNA) where: Base-Base interactions energy: -33.848 where: short stacking energy: -32.853 Base-Backbone interact. energy: 2.686 local terms energy: -51.265226 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -70.727624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.727624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.727624 (E_RNA) where: Base-Base interactions energy: -31.494 where: short stacking energy: -30.970 Base-Backbone interact. energy: -0.030 local terms energy: -39.203799 where: bonds (distance) C4'-P energy: -4.526 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -167.261962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.261962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.261962 (E_RNA) where: Base-Base interactions energy: -99.897 where: short stacking energy: -61.149 Base-Backbone interact. energy: -0.138 local terms energy: -67.226343 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -15.437 flat angles P-C4'-P energy: -7.524 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: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -139.587619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.587619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.587619 (E_RNA) where: Base-Base interactions energy: -86.932 where: short stacking energy: -51.027 Base-Backbone interact. energy: -0.257 local terms energy: -52.398935 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -11.907 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -107.830974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.830974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.830974 (E_RNA) where: Base-Base interactions energy: -49.945 where: short stacking energy: -49.945 Base-Backbone interact. energy: -0.315 local terms energy: -57.570691 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -8.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -113.342709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.342709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.342709 (E_RNA) where: Base-Base interactions energy: -56.488 where: short stacking energy: -56.180 Base-Backbone interact. energy: -0.083 local terms energy: -56.772059 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -12.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -102.783666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.783666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.783666 (E_RNA) where: Base-Base interactions energy: -49.998 where: short stacking energy: -44.305 Base-Backbone interact. energy: -0.033 local terms energy: -52.753193 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -119.995885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.995885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.995885 (E_RNA) where: Base-Base interactions energy: -69.636 where: short stacking energy: -35.888 Base-Backbone interact. energy: -1.711 local terms energy: -48.648791 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -109.088894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.088894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.088894 (E_RNA) where: Base-Base interactions energy: -67.987 where: short stacking energy: -41.498 Base-Backbone interact. energy: -0.055 local terms energy: -41.046541 where: bonds (distance) C4'-P energy: -7.072 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: 1.029 tors. eta vs tors. theta energy: -7.628 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: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -88.134498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.134498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.134498 (E_RNA) where: Base-Base interactions energy: -44.628 where: short stacking energy: -36.058 Base-Backbone interact. energy: -1.582 local terms energy: -41.924952 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -9.459 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: 9, replica: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -86.848433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.848433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.848433 (E_RNA) where: Base-Base interactions energy: -35.417 where: short stacking energy: -30.579 Base-Backbone interact. energy: -0.304 local terms energy: -51.126995 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -10.671 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -7.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -82.994307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.994307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.994307 (E_RNA) where: Base-Base interactions energy: -33.400 where: short stacking energy: -32.494 Base-Backbone interact. energy: -0.002 local terms energy: -49.591581 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -7.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -158.874025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.874025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.874025 (E_RNA) where: Base-Base interactions energy: -96.771 where: short stacking energy: -57.364 Base-Backbone interact. energy: -0.005 local terms energy: -62.097718 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -12.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -140.240267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.240267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.240267 (E_RNA) where: Base-Base interactions energy: -75.604 where: short stacking energy: -60.757 Base-Backbone interact. energy: -0.001 local terms energy: -64.635841 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -13.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -117.353187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.353187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.353187 (E_RNA) where: Base-Base interactions energy: -59.004 where: short stacking energy: -58.884 Base-Backbone interact. energy: -0.001 local terms energy: -58.347919 where: bonds (distance) C4'-P energy: -16.246 bonds (distance) P-C4' energy: -9.930 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -112.900909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.900909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.900909 (E_RNA) where: Base-Base interactions energy: -58.918 where: short stacking energy: -44.485 Base-Backbone interact. energy: -0.269 local terms energy: -53.713881 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -146.760293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.760293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.760293 (E_RNA) where: Base-Base interactions energy: -93.845 where: short stacking energy: -61.178 Base-Backbone interact. energy: -0.001 local terms energy: -52.914004 where: bonds (distance) C4'-P energy: -10.097 bonds (distance) P-C4' energy: -10.508 flat angles C4'-P-C4' energy: -10.790 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -81.552806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.552806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.552806 (E_RNA) where: Base-Base interactions energy: -33.234 where: short stacking energy: -33.234 Base-Backbone interact. energy: -0.148 local terms energy: -48.170722 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -86.432839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.432839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.432839 (E_RNA) where: Base-Base interactions energy: -36.511 where: short stacking energy: -36.511 Base-Backbone interact. energy: -0.002 local terms energy: -49.919675 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -103.392375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.392375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.392375 (E_RNA) where: Base-Base interactions energy: -43.667 where: short stacking energy: -43.667 Base-Backbone interact. energy: 0.083 local terms energy: -59.808051 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: -12.037 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: 3 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -87.516879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.516879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.516879 (E_RNA) where: Base-Base interactions energy: -47.539 where: short stacking energy: -25.179 Base-Backbone interact. energy: -0.152 local terms energy: -39.825882 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -7.514 tors. eta vs tors. theta energy: -2.292 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: 10, replica: 4 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -78.714814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.714814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.714814 (E_RNA) where: Base-Base interactions energy: -42.048 where: short stacking energy: -37.445 Base-Backbone interact. energy: -0.260 local terms energy: -36.407622 where: bonds (distance) C4'-P energy: -2.901 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -10.407 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -167.668685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.668685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.668685 (E_RNA) where: Base-Base interactions energy: -103.567 where: short stacking energy: -62.429 Base-Backbone interact. energy: -0.305 local terms energy: -63.796578 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -14.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -115.473979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.473979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.473979 (E_RNA) where: Base-Base interactions energy: -51.870 where: short stacking energy: -51.870 Base-Backbone interact. energy: -0.002 local terms energy: -63.601992 where: bonds (distance) C4'-P energy: -9.453 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -13.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -113.657424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.657424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.657424 (E_RNA) where: Base-Base interactions energy: -53.482 where: short stacking energy: -43.113 Base-Backbone interact. energy: -0.138 local terms energy: -60.036969 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -10.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -152.453093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.453093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.453093 (E_RNA) where: Base-Base interactions energy: -88.450 where: short stacking energy: -58.325 Base-Backbone interact. energy: -0.001 local terms energy: -64.002495 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -14.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -106.081074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.081074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.081074 (E_RNA) where: Base-Base interactions energy: -51.567 where: short stacking energy: -49.916 Base-Backbone interact. energy: -0.001 local terms energy: -54.513659 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -11.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -90.083680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.083680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.083680 (E_RNA) where: Base-Base interactions energy: -41.985 where: short stacking energy: -35.473 Base-Backbone interact. energy: -0.274 local terms energy: -47.825396 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -9.244 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -89.985446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.985446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.985446 (E_RNA) where: Base-Base interactions energy: -36.607 where: short stacking energy: -36.607 Base-Backbone interact. energy: -0.134 local terms energy: -53.244383 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -9.840 tors. eta vs tors. theta energy: -5.563 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: 3 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -91.262320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.262320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.262320 (E_RNA) where: Base-Base interactions energy: -46.995 where: short stacking energy: -29.543 Base-Backbone interact. energy: -0.313 local terms energy: -43.953584 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -12.408 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -80.014034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.014034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.014034 (E_RNA) where: Base-Base interactions energy: -35.562 where: short stacking energy: -23.002 Base-Backbone interact. energy: -0.051 local terms energy: -44.401052 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -10.454 flat angles P-C4'-P energy: -11.269 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: 25 Temperature: 1.350000 Total energy: -110.216275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.216275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.216275 (E_RNA) where: Base-Base interactions energy: -54.005 where: short stacking energy: -51.713 Base-Backbone interact. energy: -0.010 local terms energy: -56.200878 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -10.173 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -7.255 tors. eta vs tors. theta energy: -13.055 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: 2 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -151.891120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.891120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.891120 (E_RNA) where: Base-Base interactions energy: -88.783 where: short stacking energy: -49.834 Base-Backbone interact. energy: -0.732 local terms energy: -62.375685 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -11.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -113.026797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.026797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.026797 (E_RNA) where: Base-Base interactions energy: -52.569 where: short stacking energy: -48.659 Base-Backbone interact. energy: -0.007 local terms energy: -60.450294 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -14.809 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -9.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -150.871882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.871882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.871882 (E_RNA) where: Base-Base interactions energy: -96.080 where: short stacking energy: -57.812 Base-Backbone interact. energy: 1.211 local terms energy: -56.002733 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -11.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -102.156949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.156949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.156949 (E_RNA) where: Base-Base interactions energy: -44.099 where: short stacking energy: -43.383 Base-Backbone interact. energy: -0.063 local terms energy: -57.995646 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -7.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -102.004574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.004574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.004574 (E_RNA) where: Base-Base interactions energy: -48.552 where: short stacking energy: -44.766 Base-Backbone interact. energy: -0.156 local terms energy: -53.296118 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -11.617 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -94.943236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.943236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.943236 (E_RNA) where: Base-Base interactions energy: -44.122 where: short stacking energy: -41.719 Base-Backbone interact. energy: -0.014 local terms energy: -50.807064 where: bonds (distance) C4'-P energy: -15.799 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -90.306892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.306892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.306892 (E_RNA) where: Base-Base interactions energy: -42.967 where: short stacking energy: -39.989 Base-Backbone interact. energy: -0.163 local terms energy: -47.176428 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -6.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -77.548690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.548690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.548690 (E_RNA) where: Base-Base interactions energy: -31.034 where: short stacking energy: -31.334 Base-Backbone interact. energy: -1.406 local terms energy: -45.108190 where: bonds (distance) C4'-P energy: -11.806 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -10.528 flat angles P-C4'-P energy: -6.902 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -84.217160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.217160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.217160 (E_RNA) where: Base-Base interactions energy: -33.408 where: short stacking energy: -33.408 Base-Backbone interact. energy: -0.070 local terms energy: -50.739089 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -72.329669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.329669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.329669 (E_RNA) where: Base-Base interactions energy: -32.222 where: short stacking energy: -24.900 Base-Backbone interact. energy: 0.244 local terms energy: -40.351725 where: bonds (distance) C4'-P energy: -15.799 bonds (distance) P-C4' energy: -3.824 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -156.861364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.861364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.861364 (E_RNA) where: Base-Base interactions energy: -89.047 where: short stacking energy: -61.871 Base-Backbone interact. energy: -0.020 local terms energy: -67.794687 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -16.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -156.785363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.785363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.785363 (E_RNA) where: Base-Base interactions energy: -96.144 where: short stacking energy: -55.559 Base-Backbone interact. energy: 0.856 local terms energy: -61.497259 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -13.401 flat angles C4'-P-C4' energy: -11.570 flat angles P-C4'-P energy: -11.457 tors. eta vs tors. theta energy: -12.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -113.506953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.506953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.506953 (E_RNA) where: Base-Base interactions energy: -53.543 where: short stacking energy: -53.543 Base-Backbone interact. energy: -0.005 local terms energy: -59.959383 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.035 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -11.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -127.053245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.053245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.053245 (E_RNA) where: Base-Base interactions energy: -64.166 where: short stacking energy: -54.809 Base-Backbone interact. energy: -0.006 local terms energy: -62.881139 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -14.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -99.766722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.766722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.766722 (E_RNA) where: Base-Base interactions energy: -48.837 where: short stacking energy: -48.837 Base-Backbone interact. energy: -0.553 local terms energy: -50.376004 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -11.830 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -7.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -99.408195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.408195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.408195 (E_RNA) where: Base-Base interactions energy: -49.992 where: short stacking energy: -36.141 Base-Backbone interact. energy: -0.408 local terms energy: -49.007884 where: bonds (distance) C4'-P energy: -10.286 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -5.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -90.607290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.607290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.607290 (E_RNA) where: Base-Base interactions energy: -44.864 where: short stacking energy: -42.151 Base-Backbone interact. energy: -0.010 local terms energy: -45.732826 where: bonds (distance) C4'-P energy: -7.570 bonds (distance) P-C4' energy: -9.798 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -80.648593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.648593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.648593 (E_RNA) where: Base-Base interactions energy: -36.666 where: short stacking energy: -34.690 Base-Backbone interact. energy: -0.248 local terms energy: -43.735165 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -74.712077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.712077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.712077 (E_RNA) where: Base-Base interactions energy: -31.053 where: short stacking energy: -31.053 Base-Backbone interact. energy: -0.073 local terms energy: -43.586317 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -5.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -72.735645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.735645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.735645 (E_RNA) where: Base-Base interactions energy: -28.863 where: short stacking energy: -27.251 Base-Backbone interact. energy: 1.146 local terms energy: -45.019095 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -14.221 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -0.328 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: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -146.410587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.410587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.410587 (E_RNA) where: Base-Base interactions energy: -86.222 where: short stacking energy: -54.608 Base-Backbone interact. energy: -0.001 local terms energy: -60.188307 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -11.841 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -14.719 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: 2, replica: 2 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -155.927134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.927134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.927134 (E_RNA) where: Base-Base interactions energy: -99.470 where: short stacking energy: -52.589 Base-Backbone interact. energy: -0.003 local terms energy: -56.454400 where: bonds (distance) C4'-P energy: -8.691 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -11.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -120.289131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.289131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.289131 (E_RNA) where: Base-Base interactions energy: -59.272 where: short stacking energy: -55.655 Base-Backbone interact. energy: -0.354 local terms energy: -60.663578 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -10.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -116.640949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.640949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.640949 (E_RNA) where: Base-Base interactions energy: -54.305 where: short stacking energy: -51.022 Base-Backbone interact. energy: -0.003 local terms energy: -62.333142 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -7.712 tors. eta vs tors. theta energy: -12.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -94.623681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.623681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.623681 (E_RNA) where: Base-Base interactions energy: -37.860 where: short stacking energy: -37.324 Base-Backbone interact. energy: -0.150 local terms energy: -56.614071 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -95.424110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.424110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.424110 (E_RNA) where: Base-Base interactions energy: -47.571 where: short stacking energy: -46.863 Base-Backbone interact. energy: -0.067 local terms energy: -47.786375 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -10.226 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -5.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -80.713632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.713632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.713632 (E_RNA) where: Base-Base interactions energy: -38.528 where: short stacking energy: -30.655 Base-Backbone interact. energy: -0.241 local terms energy: -41.944656 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -9.319 flat angles P-C4'-P energy: -6.743 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -89.573121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.573121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.573121 (E_RNA) where: Base-Base interactions energy: -37.221 where: short stacking energy: -34.637 Base-Backbone interact. energy: -0.005 local terms energy: -52.347076 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -8.718 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: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -78.244741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.244741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.244741 (E_RNA) where: Base-Base interactions energy: -35.899 where: short stacking energy: -32.185 Base-Backbone interact. energy: -0.075 local terms energy: -42.270216 where: bonds (distance) C4'-P energy: -9.659 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -81.027821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.027821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.027821 (E_RNA) where: Base-Base interactions energy: -33.991 where: short stacking energy: -33.991 Base-Backbone interact. energy: -0.022 local terms energy: -47.014752 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -15.624 flat angles P-C4'-P energy: 0.102 tors. eta vs tors. theta energy: -9.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -164.921853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.921853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.921853 (E_RNA) where: Base-Base interactions energy: -99.783 where: short stacking energy: -63.136 Base-Backbone interact. energy: -0.097 local terms energy: -65.041188 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -14.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -161.209980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.209980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.209980 (E_RNA) where: Base-Base interactions energy: -100.805 where: short stacking energy: -54.744 Base-Backbone interact. energy: -0.041 local terms energy: -60.363940 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -6.145 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: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -115.268693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.268693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.268693 (E_RNA) where: Base-Base interactions energy: -58.095 where: short stacking energy: -57.786 Base-Backbone interact. energy: -0.028 local terms energy: -57.145554 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -9.239 flat angles C4'-P-C4' energy: -12.659 flat angles P-C4'-P energy: -11.473 tors. eta vs tors. theta energy: -12.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -101.130792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.130792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.130792 (E_RNA) where: Base-Base interactions energy: -44.011 where: short stacking energy: -39.601 Base-Backbone interact. energy: -0.151 local terms energy: -56.968806 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -12.159 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -7.255 tors. eta vs tors. theta energy: -10.834 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: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -102.814324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.814324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.814324 (E_RNA) where: Base-Base interactions energy: -51.523 where: short stacking energy: -41.450 Base-Backbone interact. energy: -0.092 local terms energy: -51.199276 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -11.008 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -4.927 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: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -118.166728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.166728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.166728 (E_RNA) where: Base-Base interactions energy: -66.467 where: short stacking energy: -38.161 Base-Backbone interact. energy: -0.028 local terms energy: -51.671694 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -91.273735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.273735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.273735 (E_RNA) where: Base-Base interactions energy: -42.960 where: short stacking energy: -25.867 Base-Backbone interact. energy: -0.191 local terms energy: -48.123074 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -83.827256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.827256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.827256 (E_RNA) where: Base-Base interactions energy: -29.786 where: short stacking energy: -29.786 Base-Backbone interact. energy: -0.009 local terms energy: -54.031447 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -10.794 flat angles P-C4'-P energy: -10.190 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: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -78.897486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.897486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.897486 (E_RNA) where: Base-Base interactions energy: -32.636 where: short stacking energy: -32.636 Base-Backbone interact. energy: -0.087 local terms energy: -46.174590 where: bonds (distance) C4'-P energy: -14.107 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -3.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -76.914648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.914648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.914648 (E_RNA) where: Base-Base interactions energy: -32.755 where: short stacking energy: -32.755 Base-Backbone interact. energy: -0.162 local terms energy: -43.997634 where: bonds (distance) C4'-P energy: -10.063 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -9.888 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -168.664236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.664236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.664236 (E_RNA) where: Base-Base interactions energy: -109.140 where: short stacking energy: -58.040 Base-Backbone interact. energy: -0.012 local terms energy: -59.512142 where: bonds (distance) C4'-P energy: -8.328 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -8.600 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: 2, replica: 9 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -154.657842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.657842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.657842 (E_RNA) where: Base-Base interactions energy: -89.417 where: short stacking energy: -55.915 Base-Backbone interact. energy: -0.176 local terms energy: -65.064243 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -10.679 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: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -120.472282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.472282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.472282 (E_RNA) where: Base-Base interactions energy: -61.748 where: short stacking energy: -55.866 Base-Backbone interact. energy: -0.010 local terms energy: -58.714202 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -11.258 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: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -94.337178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.337178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.337178 (E_RNA) where: Base-Base interactions energy: -42.508 where: short stacking energy: -42.508 Base-Backbone interact. energy: -0.119 local terms energy: -51.710168 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -120.388459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.388459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.388459 (E_RNA) where: Base-Base interactions energy: -60.537 where: short stacking energy: -37.713 Base-Backbone interact. energy: -0.069 local terms energy: -59.782450 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -10.856 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: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -98.292004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.292004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.292004 (E_RNA) where: Base-Base interactions energy: -48.980 where: short stacking energy: -48.980 Base-Backbone interact. energy: -0.040 local terms energy: -49.272085 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -10.975 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -10.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -94.884499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.884499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.884499 (E_RNA) where: Base-Base interactions energy: -39.028 where: short stacking energy: -38.099 Base-Backbone interact. energy: -0.411 local terms energy: -55.445563 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -13.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -91.131871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.131871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.131871 (E_RNA) where: Base-Base interactions energy: -38.755 where: short stacking energy: -38.755 Base-Backbone interact. energy: -0.018 local terms energy: -52.359322 where: bonds (distance) C4'-P energy: -11.292 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -8.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -76.573075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.573075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.573075 (E_RNA) where: Base-Base interactions energy: -36.758 where: short stacking energy: -23.729 Base-Backbone interact. energy: 2.673 local terms energy: -42.488507 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: 1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -95.331565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.331565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.331565 (E_RNA) where: Base-Base interactions energy: -41.818 where: short stacking energy: -41.307 Base-Backbone interact. energy: -0.076 local terms energy: -53.437538 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -169.487002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.487002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.487002 (E_RNA) where: Base-Base interactions energy: -106.701 where: short stacking energy: -56.457 Base-Backbone interact. energy: -0.017 local terms energy: -62.768582 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -8.686 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: 2, replica: 9 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -154.791627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.791627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.791627 (E_RNA) where: Base-Base interactions energy: -88.478 where: short stacking energy: -63.669 Base-Backbone interact. energy: 0.551 local terms energy: -66.865193 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -13.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -132.396965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.396965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.396965 (E_RNA) where: Base-Base interactions energy: -77.787 where: short stacking energy: -52.266 Base-Backbone interact. energy: -0.000 local terms energy: -54.610045 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -5.520 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: 4, replica: 4 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -135.022532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.022532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.022532 (E_RNA) where: Base-Base interactions energy: -81.651 where: short stacking energy: -53.928 Base-Backbone interact. energy: -0.086 local terms energy: -53.284932 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -9.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -109.184434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.184434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.184434 (E_RNA) where: Base-Base interactions energy: -46.760 where: short stacking energy: -46.588 Base-Backbone interact. energy: -0.716 local terms energy: -61.707532 where: bonds (distance) C4'-P energy: -10.621 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -13.065 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -15.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -113.867917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.867917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.867917 (E_RNA) where: Base-Base interactions energy: -62.983 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.432 local terms energy: -50.452595 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -7.393 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -6.644 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: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -90.219069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.219069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.219069 (E_RNA) where: Base-Base interactions energy: -40.121 where: short stacking energy: -40.121 Base-Backbone interact. energy: -0.203 local terms energy: -49.895542 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -84.847741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.847741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.847741 (E_RNA) where: Base-Base interactions energy: -40.168 where: short stacking energy: -40.168 Base-Backbone interact. energy: 0.126 local terms energy: -44.805754 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -11.355 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -86.291466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.291466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.291466 (E_RNA) where: Base-Base interactions energy: -35.135 where: short stacking energy: -35.135 Base-Backbone interact. energy: -0.466 local terms energy: -50.690652 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -4.197 tors. eta vs tors. theta energy: -10.417 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: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -74.161658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.161658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.161658 (E_RNA) where: Base-Base interactions energy: -33.690 where: short stacking energy: -32.721 Base-Backbone interact. energy: -0.141 local terms energy: -40.330639 where: bonds (distance) C4'-P energy: -6.700 bonds (distance) P-C4' energy: -11.125 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -159.583504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.583504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.583504 (E_RNA) where: Base-Base interactions energy: -96.341 where: short stacking energy: -61.797 Base-Backbone interact. energy: -0.954 local terms energy: -62.288679 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -10.933 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -18.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -153.873953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.873953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.873953 (E_RNA) where: Base-Base interactions energy: -87.433 where: short stacking energy: -55.503 Base-Backbone interact. energy: -0.003 local terms energy: -66.437191 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -10.600 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -15.698 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: 32 Temperature: 1.000000 Total energy: -136.970846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.970846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.970846 (E_RNA) where: Base-Base interactions energy: -84.843 where: short stacking energy: -51.841 Base-Backbone interact. energy: -0.018 local terms energy: -52.110037 where: bonds (distance) C4'-P energy: -10.665 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -8.703 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: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -139.213888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.213888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.213888 (E_RNA) where: Base-Base interactions energy: -79.139 where: short stacking energy: -49.903 Base-Backbone interact. energy: -0.050 local terms energy: -60.024591 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -11.235 flat angles C4'-P-C4' energy: -11.572 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -14.527 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: 32 Temperature: 1.100000 Total energy: -100.494051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.494051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.494051 (E_RNA) where: Base-Base interactions energy: -45.653 where: short stacking energy: -45.653 Base-Backbone interact. energy: -0.096 local terms energy: -54.745568 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -9.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -86.152283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.152283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.152283 (E_RNA) where: Base-Base interactions energy: -40.260 where: short stacking energy: -40.260 Base-Backbone interact. energy: 0.347 local terms energy: -46.238989 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -82.637551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.637551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.637551 (E_RNA) where: Base-Base interactions energy: -40.824 where: short stacking energy: -34.553 Base-Backbone interact. energy: -0.009 local terms energy: -41.804707 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -11.029 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -0.330 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: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -79.613922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.613922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.613922 (E_RNA) where: Base-Base interactions energy: -34.038 where: short stacking energy: -27.469 Base-Backbone interact. energy: -0.085 local terms energy: -45.490835 where: bonds (distance) C4'-P energy: -7.169 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -87.245366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.245366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.245366 (E_RNA) where: Base-Base interactions energy: -45.982 where: short stacking energy: -45.982 Base-Backbone interact. energy: -0.001 local terms energy: -41.261607 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -69.856597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.856597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.856597 (E_RNA) where: Base-Base interactions energy: -35.013 where: short stacking energy: -22.345 Base-Backbone interact. energy: -0.273 local terms energy: -34.570441 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -10.038 flat angles P-C4'-P energy: 0.026 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -148.187320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.187320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.187320 (E_RNA) where: Base-Base interactions energy: -82.211 where: short stacking energy: -55.178 Base-Backbone interact. energy: -0.089 local terms energy: -65.886598 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -11.749 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: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -144.497434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.497434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.497434 (E_RNA) where: Base-Base interactions energy: -84.958 where: short stacking energy: -51.927 Base-Backbone interact. energy: -0.149 local terms energy: -59.390846 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -12.220 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -10.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -150.000110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.000110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.000110 (E_RNA) where: Base-Base interactions energy: -90.038 where: short stacking energy: -56.229 Base-Backbone interact. energy: -0.001 local terms energy: -59.961210 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -8.949 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -143.731499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.731499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.731499 (E_RNA) where: Base-Base interactions energy: -92.753 where: short stacking energy: -56.021 Base-Backbone interact. energy: -0.081 local terms energy: -50.897654 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -115.809204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.809204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.809204 (E_RNA) where: Base-Base interactions energy: -52.961 where: short stacking energy: -52.961 Base-Backbone interact. energy: -0.244 local terms energy: -62.604813 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -14.758 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -14.703 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: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -95.122643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.122643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.122643 (E_RNA) where: Base-Base interactions energy: -47.107 where: short stacking energy: -47.107 Base-Backbone interact. energy: -0.032 local terms energy: -47.984253 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -86.086356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.086356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.086356 (E_RNA) where: Base-Base interactions energy: -41.264 where: short stacking energy: -41.078 Base-Backbone interact. energy: 1.602 local terms energy: -46.424118 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -90.066449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.066449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.066449 (E_RNA) where: Base-Base interactions energy: -39.521 where: short stacking energy: -39.521 Base-Backbone interact. energy: -0.149 local terms energy: -50.396603 where: bonds (distance) C4'-P energy: -8.145 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -9.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -79.102665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.102665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.102665 (E_RNA) where: Base-Base interactions energy: -42.475 where: short stacking energy: -28.092 Base-Backbone interact. energy: 0.007 local terms energy: -36.634275 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: 1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -78.562354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.562354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.562354 (E_RNA) where: Base-Base interactions energy: -36.177 where: short stacking energy: -36.177 Base-Backbone interact. energy: -0.215 local terms energy: -42.169593 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -9.915 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -5.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -151.180304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.180304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.180304 (E_RNA) where: Base-Base interactions energy: -86.262 where: short stacking energy: -62.356 Base-Backbone interact. energy: -0.021 local terms energy: -64.897692 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.934 flat angles P-C4'-P energy: -11.574 tors. eta vs tors. theta energy: -13.192 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -150.379885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.379885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.379885 (E_RNA) where: Base-Base interactions energy: -88.072 where: short stacking energy: -57.794 Base-Backbone interact. energy: -0.022 local terms energy: -62.285761 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -9.603 tors. eta vs tors. theta energy: -13.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -133.998442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.998442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.998442 (E_RNA) where: Base-Base interactions energy: -77.788 where: short stacking energy: -42.596 Base-Backbone interact. energy: -1.012 local terms energy: -55.198317 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -10.791 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -8.903 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: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -139.473815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.473815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.473815 (E_RNA) where: Base-Base interactions energy: -80.561 where: short stacking energy: -48.437 Base-Backbone interact. energy: 2.043 local terms energy: -60.955933 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -13.547 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: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -93.766816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.766816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.766816 (E_RNA) where: Base-Base interactions energy: -43.752 where: short stacking energy: -30.731 Base-Backbone interact. energy: -0.204 local terms energy: -49.810271 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -96.331924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.331924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.331924 (E_RNA) where: Base-Base interactions energy: -46.763 where: short stacking energy: -38.129 Base-Backbone interact. energy: -0.105 local terms energy: -49.464337 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -95.237511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.237511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.237511 (E_RNA) where: Base-Base interactions energy: -51.830 where: short stacking energy: -18.742 Base-Backbone interact. energy: -0.358 local terms energy: -43.049510 where: bonds (distance) C4'-P energy: -12.467 bonds (distance) P-C4' energy: -10.993 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -7.675 tors. eta vs tors. theta energy: 0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -77.369334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.369334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.369334 (E_RNA) where: Base-Base interactions energy: -35.262 where: short stacking energy: -34.781 Base-Backbone interact. energy: -0.090 local terms energy: -42.017878 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -84.728755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.728755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.728755 (E_RNA) where: Base-Base interactions energy: -37.432 where: short stacking energy: -37.432 Base-Backbone interact. energy: -0.011 local terms energy: -47.285990 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -9.919 flat angles P-C4'-P energy: -3.247 tors. eta vs tors. theta energy: -7.709 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: 10, replica: 3 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -79.393771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.393771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.393771 (E_RNA) where: Base-Base interactions energy: -25.734 where: short stacking energy: -24.206 Base-Backbone interact. energy: -0.004 local terms energy: -53.656641 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -13.563 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -11.079 tors. eta vs tors. theta energy: -4.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -149.226853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.226853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.226853 (E_RNA) where: Base-Base interactions energy: -83.131 where: short stacking energy: -61.256 Base-Backbone interact. energy: -0.081 local terms energy: -66.014669 where: bonds (distance) C4'-P energy: -13.978 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -8.728 tors. eta vs tors. theta energy: -16.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -149.313092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.313092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.313092 (E_RNA) where: Base-Base interactions energy: -92.059 where: short stacking energy: -55.510 Base-Backbone interact. energy: -0.045 local terms energy: -57.208812 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -7.416 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: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -151.811711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.811711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.811711 (E_RNA) where: Base-Base interactions energy: -93.131 where: short stacking energy: -56.563 Base-Backbone interact. energy: 0.850 local terms energy: -59.530329 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -11.464 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -11.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -137.746259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.746259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.746259 (E_RNA) where: Base-Base interactions energy: -77.957 where: short stacking energy: -49.395 Base-Backbone interact. energy: -0.100 local terms energy: -59.689615 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -10.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -108.244905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.244905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.244905 (E_RNA) where: Base-Base interactions energy: -60.122 where: short stacking energy: -46.485 Base-Backbone interact. energy: -0.585 local terms energy: -47.538162 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -7.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -86.203259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.203259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.203259 (E_RNA) where: Base-Base interactions energy: -46.014 where: short stacking energy: -36.814 Base-Backbone interact. energy: -0.019 local terms energy: -40.170230 where: bonds (distance) C4'-P energy: -9.499 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -6.835 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -109.880467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.880467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.880467 (E_RNA) where: Base-Base interactions energy: -60.131 where: short stacking energy: -47.977 Base-Backbone interact. energy: -0.009 local terms energy: -49.739803 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -8.392 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -8.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -84.063935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.063935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.063935 (E_RNA) where: Base-Base interactions energy: -32.182 where: short stacking energy: -27.319 Base-Backbone interact. energy: -0.178 local terms energy: -51.704085 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -11.959 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -8.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -71.210272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.210272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.210272 (E_RNA) where: Base-Base interactions energy: -29.462 where: short stacking energy: -24.206 Base-Backbone interact. energy: -0.163 local terms energy: -41.585551 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -7.175 flat angles P-C4'-P energy: -6.644 tors. eta vs tors. theta energy: 0.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -72.611402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.611402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.611402 (E_RNA) where: Base-Base interactions energy: -33.528 where: short stacking energy: -22.003 Base-Backbone interact. energy: 0.669 local terms energy: -39.752430 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -156.955585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.955585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.955585 (E_RNA) where: Base-Base interactions energy: -89.185 where: short stacking energy: -60.762 Base-Backbone interact. energy: -0.176 local terms energy: -67.594562 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -14.168 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: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -144.352212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.352212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.352212 (E_RNA) where: Base-Base interactions energy: -81.014 where: short stacking energy: -58.065 Base-Backbone interact. energy: -0.012 local terms energy: -63.326054 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -15.787 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: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -147.365688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.365688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.365688 (E_RNA) where: Base-Base interactions energy: -90.965 where: short stacking energy: -48.786 Base-Backbone interact. energy: -0.475 local terms energy: -55.925912 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -12.704 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: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -130.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.892390 (E_RNA) where: Base-Base interactions energy: -73.255 where: short stacking energy: -47.382 Base-Backbone interact. energy: -0.857 local terms energy: -56.780927 where: bonds (distance) C4'-P energy: -12.272 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -110.428555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.428555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.428555 (E_RNA) where: Base-Base interactions energy: -59.718 where: short stacking energy: -35.683 Base-Backbone interact. energy: -0.174 local terms energy: -50.537021 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -7.900 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: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -90.900901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.900901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.900901 (E_RNA) where: Base-Base interactions energy: -32.182 where: short stacking energy: -30.385 Base-Backbone interact. energy: -0.175 local terms energy: -58.544159 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -12.274 tors. eta vs tors. theta energy: -7.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -81.205143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.205143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.205143 (E_RNA) where: Base-Base interactions energy: -28.279 where: short stacking energy: -28.279 Base-Backbone interact. energy: -0.025 local terms energy: -52.900801 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -14.495 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -92.307350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.307350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.307350 (E_RNA) where: Base-Base interactions energy: -43.802 where: short stacking energy: -30.830 Base-Backbone interact. energy: -0.566 local terms energy: -47.939622 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -83.975240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.975240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.975240 (E_RNA) where: Base-Base interactions energy: -42.038 where: short stacking energy: -35.870 Base-Backbone interact. energy: -0.510 local terms energy: -41.427616 where: bonds (distance) C4'-P energy: -13.262 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -9.702 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: 1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -78.876211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.876211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.876211 (E_RNA) where: Base-Base interactions energy: -33.167 where: short stacking energy: -30.371 Base-Backbone interact. energy: -0.040 local terms energy: -45.668741 where: bonds (distance) C4'-P energy: -6.509 bonds (distance) P-C4' energy: -10.292 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -9.328 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: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -152.776720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.776720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.776720 (E_RNA) where: Base-Base interactions energy: -91.933 where: short stacking energy: -58.807 Base-Backbone interact. energy: -0.005 local terms energy: -60.838077 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -13.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -155.900615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.900615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.900615 (E_RNA) where: Base-Base interactions energy: -97.069 where: short stacking energy: -50.418 Base-Backbone interact. energy: -0.548 local terms energy: -58.283778 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -13.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -135.023414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.023414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.023414 (E_RNA) where: Base-Base interactions energy: -81.809 where: short stacking energy: -47.396 Base-Backbone interact. energy: -0.397 local terms energy: -52.818008 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -7.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -142.881548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.881548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.881548 (E_RNA) where: Base-Base interactions energy: -80.370 where: short stacking energy: -52.648 Base-Backbone interact. energy: -0.014 local terms energy: -62.497874 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -109.409668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.409668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.409668 (E_RNA) where: Base-Base interactions energy: -64.401 where: short stacking energy: -43.864 Base-Backbone interact. energy: -0.714 local terms energy: -44.294265 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -8.415 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -97.165852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.165852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.165852 (E_RNA) where: Base-Base interactions energy: -44.355 where: short stacking energy: -44.355 Base-Backbone interact. energy: -0.016 local terms energy: -52.794369 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -12.170 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -6.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -92.591547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.591547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.591547 (E_RNA) where: Base-Base interactions energy: -41.959 where: short stacking energy: -39.801 Base-Backbone interact. energy: -0.092 local terms energy: -50.541070 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -7.977 tors. eta vs tors. theta energy: -9.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -80.787805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.787805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.787805 (E_RNA) where: Base-Base interactions energy: -45.361 where: short stacking energy: -30.648 Base-Backbone interact. energy: 0.339 local terms energy: -35.766400 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -77.799618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.799618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.799618 (E_RNA) where: Base-Base interactions energy: -29.289 where: short stacking energy: -28.008 Base-Backbone interact. energy: -0.098 local terms energy: -48.412576 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -9.754 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -74.975572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.975572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.975572 (E_RNA) where: Base-Base interactions energy: -34.086 where: short stacking energy: -34.086 Base-Backbone interact. energy: 2.231 local terms energy: -43.120105 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -9.575 flat angles P-C4'-P energy: -0.673 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -153.523253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.523253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.523253 (E_RNA) where: Base-Base interactions energy: -86.356 where: short stacking energy: -59.108 Base-Backbone interact. energy: -0.200 local terms energy: -66.967385 where: bonds (distance) C4'-P energy: -12.927 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -9.969 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: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -154.421558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.421558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.421558 (E_RNA) where: Base-Base interactions energy: -92.937 where: short stacking energy: -62.370 Base-Backbone interact. energy: -0.012 local terms energy: -61.471982 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -154.244930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.244930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.244930 (E_RNA) where: Base-Base interactions energy: -89.706 where: short stacking energy: -59.618 Base-Backbone interact. energy: -0.448 local terms energy: -64.090587 where: bonds (distance) C4'-P energy: -9.231 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -10.669 flat angles P-C4'-P energy: -12.270 tors. eta vs tors. theta energy: -16.383 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: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -117.524820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.524820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.524820 (E_RNA) where: Base-Base interactions energy: -64.391 where: short stacking energy: -43.902 Base-Backbone interact. energy: -0.712 local terms energy: -52.421729 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -101.862359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.862359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.862359 (E_RNA) where: Base-Base interactions energy: -46.758 where: short stacking energy: -42.751 Base-Backbone interact. energy: -0.074 local terms energy: -55.030181 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -8.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -104.712880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.712880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.712880 (E_RNA) where: Base-Base interactions energy: -55.126 where: short stacking energy: -55.126 Base-Backbone interact. energy: 0.823 local terms energy: -50.409824 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -13.608 flat angles C4'-P-C4' energy: -9.672 flat angles P-C4'-P energy: -10.019 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -100.558321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.558321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.558321 (E_RNA) where: Base-Base interactions energy: -44.933 where: short stacking energy: -44.171 Base-Backbone interact. energy: -0.288 local terms energy: -55.337507 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -8.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -90.730769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.730769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.730769 (E_RNA) where: Base-Base interactions energy: -38.548 where: short stacking energy: -38.648 Base-Backbone interact. energy: -0.090 local terms energy: -52.092280 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -80.893268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.893268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.893268 (E_RNA) where: Base-Base interactions energy: -32.149 where: short stacking energy: -32.149 Base-Backbone interact. energy: -0.218 local terms energy: -48.526584 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -10.470 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -79.704441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.704441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.704441 (E_RNA) where: Base-Base interactions energy: -42.071 where: short stacking energy: -29.368 Base-Backbone interact. energy: -0.208 local terms energy: -37.425676 where: bonds (distance) C4'-P energy: -7.561 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -159.978753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.978753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.978753 (E_RNA) where: Base-Base interactions energy: -93.476 where: short stacking energy: -61.023 Base-Backbone interact. energy: -0.002 local terms energy: -66.501263 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: -14.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -133.530783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.530783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.530783 (E_RNA) where: Base-Base interactions energy: -72.051 where: short stacking energy: -40.395 Base-Backbone interact. energy: -0.333 local terms energy: -61.147306 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -11.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -133.040609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.040609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.040609 (E_RNA) where: Base-Base interactions energy: -76.936 where: short stacking energy: -45.935 Base-Backbone interact. energy: -0.105 local terms energy: -55.999876 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -11.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -97.215392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.215392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.215392 (E_RNA) where: Base-Base interactions energy: -48.300 where: short stacking energy: -39.228 Base-Backbone interact. energy: -0.131 local terms energy: -48.784472 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -116.832989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.832989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.832989 (E_RNA) where: Base-Base interactions energy: -55.616 where: short stacking energy: -55.616 Base-Backbone interact. energy: -0.011 local terms energy: -61.205877 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -9.452 tors. eta vs tors. theta energy: -12.418 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: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -105.412512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.412512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.412512 (E_RNA) where: Base-Base interactions energy: -48.206 where: short stacking energy: -48.206 Base-Backbone interact. energy: -0.190 local terms energy: -57.016770 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -12.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -108.619371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.619371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.619371 (E_RNA) where: Base-Base interactions energy: -52.472 where: short stacking energy: -52.472 Base-Backbone interact. energy: -0.009 local terms energy: -56.138241 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -6.319 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -14.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -95.956970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.956970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.956970 (E_RNA) where: Base-Base interactions energy: -46.420 where: short stacking energy: -46.420 Base-Backbone interact. energy: -0.011 local terms energy: -49.526372 where: bonds (distance) C4'-P energy: -9.284 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -9.028 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: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -78.324347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.324347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.324347 (E_RNA) where: Base-Base interactions energy: -38.533 where: short stacking energy: -34.237 Base-Backbone interact. energy: -0.010 local terms energy: -39.781175 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -4.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -72.862119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.862119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.862119 (E_RNA) where: Base-Base interactions energy: -30.341 where: short stacking energy: -29.870 Base-Backbone interact. energy: -0.071 local terms energy: -42.450578 where: bonds (distance) C4'-P energy: -10.942 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -8.283 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -162.372694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.372694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.372694 (E_RNA) where: Base-Base interactions energy: -97.179 where: short stacking energy: -54.600 Base-Backbone interact. energy: -0.189 local terms energy: -65.004884 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -10.789 tors. eta vs tors. theta energy: -15.741 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: 9 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -149.139072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.139072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.139072 (E_RNA) where: Base-Base interactions energy: -87.141 where: short stacking energy: -53.971 Base-Backbone interact. energy: -0.026 local terms energy: -61.972713 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -8.905 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: 3, replica: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -140.746901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.746901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.746901 (E_RNA) where: Base-Base interactions energy: -87.714 where: short stacking energy: -55.558 Base-Backbone interact. energy: 0.051 local terms energy: -53.084399 where: bonds (distance) C4'-P energy: -7.685 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -7.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -101.039910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.039910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.039910 (E_RNA) where: Base-Base interactions energy: -48.385 where: short stacking energy: -48.385 Base-Backbone interact. energy: -0.108 local terms energy: -52.547028 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -87.415573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.415573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.415573 (E_RNA) where: Base-Base interactions energy: -49.733 where: short stacking energy: -37.580 Base-Backbone interact. energy: -0.077 local terms energy: -37.605391 where: bonds (distance) C4'-P energy: -9.220 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -130.428156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.428156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.428156 (E_RNA) where: Base-Base interactions energy: -73.876 where: short stacking energy: -48.442 Base-Backbone interact. energy: -0.118 local terms energy: -56.434376 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -11.554 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: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -94.872132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.872132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.872132 (E_RNA) where: Base-Base interactions energy: -38.307 where: short stacking energy: -36.726 Base-Backbone interact. energy: -0.003 local terms energy: -56.562415 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -9.371 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: 8, replica: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -85.408143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.408143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.408143 (E_RNA) where: Base-Base interactions energy: -42.061 where: short stacking energy: -30.608 Base-Backbone interact. energy: 0.255 local terms energy: -43.602372 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -10.754 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -3.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -76.896663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.896663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.896663 (E_RNA) where: Base-Base interactions energy: -28.562 where: short stacking energy: -27.067 Base-Backbone interact. energy: -0.103 local terms energy: -48.231678 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -5.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -84.684324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.684324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.684324 (E_RNA) where: Base-Base interactions energy: -38.919 where: short stacking energy: -32.374 Base-Backbone interact. energy: -0.007 local terms energy: -45.759197 where: bonds (distance) C4'-P energy: -6.133 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -164.033759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.033759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.033759 (E_RNA) where: Base-Base interactions energy: -94.601 where: short stacking energy: -55.838 Base-Backbone interact. energy: -0.089 local terms energy: -69.344526 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -16.370 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -15.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -143.824222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.824222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.824222 (E_RNA) where: Base-Base interactions energy: -79.888 where: short stacking energy: -48.418 Base-Backbone interact. energy: -0.005 local terms energy: -63.930739 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -10.163 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: 3, replica: 9 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -140.852636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.852636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.852636 (E_RNA) where: Base-Base interactions energy: -84.038 where: short stacking energy: -49.211 Base-Backbone interact. energy: -0.012 local terms energy: -56.802963 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -11.632 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -11.068 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: 10 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -124.248929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.248929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.248929 (E_RNA) where: Base-Base interactions energy: -68.834 where: short stacking energy: -50.405 Base-Backbone interact. energy: -0.027 local terms energy: -55.388363 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -12.049 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: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -101.657447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.657447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.657447 (E_RNA) where: Base-Base interactions energy: -50.983 where: short stacking energy: -46.909 Base-Backbone interact. energy: -0.078 local terms energy: -50.596223 where: bonds (distance) C4'-P energy: -10.232 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -5.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -118.216910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.216910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.216910 (E_RNA) where: Base-Base interactions energy: -70.510 where: short stacking energy: -44.008 Base-Backbone interact. energy: -0.006 local terms energy: -47.701347 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -9.312 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -5.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -101.161999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.161999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.161999 (E_RNA) where: Base-Base interactions energy: -50.313 where: short stacking energy: -50.217 Base-Backbone interact. energy: -0.101 local terms energy: -50.747760 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -9.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -80.097252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.097252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.097252 (E_RNA) where: Base-Base interactions energy: -38.400 where: short stacking energy: -32.011 Base-Backbone interact. energy: -0.847 local terms energy: -40.849906 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -3.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -79.238324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.238324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.238324 (E_RNA) where: Base-Base interactions energy: -35.646 where: short stacking energy: -34.163 Base-Backbone interact. energy: -1.434 local terms energy: -42.158129 where: bonds (distance) C4'-P energy: -9.871 bonds (distance) P-C4' energy: -10.903 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -4.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -78.252454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.252454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.252454 (E_RNA) where: Base-Base interactions energy: -32.468 where: short stacking energy: -31.642 Base-Backbone interact. energy: -0.122 local terms energy: -45.662432 where: bonds (distance) C4'-P energy: -9.064 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -9.774 tors. eta vs tors. theta energy: -2.811 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: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -162.208307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.208307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.208307 (E_RNA) where: Base-Base interactions energy: -101.270 where: short stacking energy: -59.530 Base-Backbone interact. energy: -1.059 local terms energy: -59.878936 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -14.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -150.062566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.062566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.062566 (E_RNA) where: Base-Base interactions energy: -85.052 where: short stacking energy: -59.205 Base-Backbone interact. energy: -0.100 local terms energy: -64.910630 where: bonds (distance) C4'-P energy: -13.601 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -11.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -133.649015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.649015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.649015 (E_RNA) where: Base-Base interactions energy: -76.363 where: short stacking energy: -51.138 Base-Backbone interact. energy: -0.041 local terms energy: -57.244963 where: bonds (distance) C4'-P energy: -8.634 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -11.748 flat angles P-C4'-P energy: -11.495 tors. eta vs tors. theta energy: -9.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -132.994208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.994208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.994208 (E_RNA) where: Base-Base interactions energy: -87.240 where: short stacking energy: -52.274 Base-Backbone interact. energy: 0.359 local terms energy: -46.113097 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: -9.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -127.107175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.107175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.107175 (E_RNA) where: Base-Base interactions energy: -80.796 where: short stacking energy: -51.247 Base-Backbone interact. energy: -0.013 local terms energy: -46.297342 where: bonds (distance) C4'-P energy: -8.484 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -89.617143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.617143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.617143 (E_RNA) where: Base-Base interactions energy: -48.597 where: short stacking energy: -48.597 Base-Backbone interact. energy: -0.099 local terms energy: -40.920387 where: bonds (distance) C4'-P energy: -3.765 bonds (distance) P-C4' energy: -8.421 flat angles C4'-P-C4' energy: -10.748 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -91.424197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.424197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.424197 (E_RNA) where: Base-Base interactions energy: -46.105 where: short stacking energy: -46.105 Base-Backbone interact. energy: -0.225 local terms energy: -45.094267 where: bonds (distance) C4'-P energy: -7.959 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -7.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -80.424753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.424753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.424753 (E_RNA) where: Base-Base interactions energy: -37.976 where: short stacking energy: -35.552 Base-Backbone interact. energy: -0.020 local terms energy: -42.428527 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -9.299 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -3.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -75.493870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.493870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.493870 (E_RNA) where: Base-Base interactions energy: -33.588 where: short stacking energy: -33.588 Base-Backbone interact. energy: 0.247 local terms energy: -42.153620 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -88.896245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.896245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.896245 (E_RNA) where: Base-Base interactions energy: -39.061 where: short stacking energy: -37.380 Base-Backbone interact. energy: 0.015 local terms energy: -49.850409 where: bonds (distance) C4'-P energy: -10.952 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -8.832 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: 43 Temperature: 0.900000 Total energy: -155.487578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.487578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.487578 (E_RNA) where: Base-Base interactions energy: -96.746 where: short stacking energy: -58.480 Base-Backbone interact. energy: -0.068 local terms energy: -58.674074 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -14.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -130.719548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.719548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.719548 (E_RNA) where: Base-Base interactions energy: -70.898 where: short stacking energy: -46.604 Base-Backbone interact. energy: 0.037 local terms energy: -59.858843 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -12.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -144.513832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.513832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.513832 (E_RNA) where: Base-Base interactions energy: -88.468 where: short stacking energy: -56.988 Base-Backbone interact. energy: -0.009 local terms energy: -56.036371 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -9.767 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -13.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -138.463829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.463829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.463829 (E_RNA) where: Base-Base interactions energy: -80.828 where: short stacking energy: -53.769 Base-Backbone interact. energy: -0.425 local terms energy: -57.210148 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -6.439 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: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -132.250365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.250365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.250365 (E_RNA) where: Base-Base interactions energy: -78.937 where: short stacking energy: -48.798 Base-Backbone interact. energy: -0.114 local terms energy: -53.199353 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -10.443 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -7.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -100.616152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.616152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.616152 (E_RNA) where: Base-Base interactions energy: -49.968 where: short stacking energy: -49.968 Base-Backbone interact. energy: -0.067 local terms energy: -50.581686 where: bonds (distance) C4'-P energy: -9.981 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -10.435 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -91.734283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.734283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.734283 (E_RNA) where: Base-Base interactions energy: -42.969 where: short stacking energy: -37.866 Base-Backbone interact. energy: -0.247 local terms energy: -48.519039 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -9.276 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -5.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -88.114856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.114856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.114856 (E_RNA) where: Base-Base interactions energy: -34.997 where: short stacking energy: -34.220 Base-Backbone interact. energy: 0.651 local terms energy: -53.768714 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -9.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -76.999779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.999779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.999779 (E_RNA) where: Base-Base interactions energy: -29.226 where: short stacking energy: -29.226 Base-Backbone interact. energy: -0.249 local terms energy: -47.524833 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -10.483 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -79.155239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.155239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.155239 (E_RNA) where: Base-Base interactions energy: -31.247 where: short stacking energy: -31.857 Base-Backbone interact. energy: -0.048 local terms energy: -47.860697 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -155.028181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.028181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.028181 (E_RNA) where: Base-Base interactions energy: -92.169 where: short stacking energy: -59.655 Base-Backbone interact. energy: -0.141 local terms energy: -62.717965 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -9.136 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: 2, replica: 10 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -122.691108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.691108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.691108 (E_RNA) where: Base-Base interactions energy: -59.230 where: short stacking energy: -59.230 Base-Backbone interact. energy: -0.000 local terms energy: -63.460669 where: bonds (distance) C4'-P energy: -11.453 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -16.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -143.889260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.889260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.889260 (E_RNA) where: Base-Base interactions energy: -87.357 where: short stacking energy: -56.690 Base-Backbone interact. energy: -0.261 local terms energy: -56.271780 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -11.006 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: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -134.748467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.748467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.748467 (E_RNA) where: Base-Base interactions energy: -82.560 where: short stacking energy: -56.881 Base-Backbone interact. energy: 0.085 local terms energy: -52.274254 where: bonds (distance) C4'-P energy: -8.232 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -12.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -130.361988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.361988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.361988 (E_RNA) where: Base-Base interactions energy: -79.629 where: short stacking energy: -46.095 Base-Backbone interact. energy: -0.471 local terms energy: -50.261365 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -7.665 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: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -97.375941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.375941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.375941 (E_RNA) where: Base-Base interactions energy: -53.385 where: short stacking energy: -32.775 Base-Backbone interact. energy: -0.143 local terms energy: -43.848164 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -7.718 tors. eta vs tors. theta energy: -4.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -101.102420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.102420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.102420 (E_RNA) where: Base-Base interactions energy: -46.699 where: short stacking energy: -43.591 Base-Backbone interact. energy: -0.047 local terms energy: -54.356252 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -9.639 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: 6 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -85.724024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.724024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.724024 (E_RNA) where: Base-Base interactions energy: -41.846 where: short stacking energy: -41.846 Base-Backbone interact. energy: -0.136 local terms energy: -43.742501 where: bonds (distance) C4'-P energy: -11.893 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -11.230 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -75.956951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.956951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.956951 (E_RNA) where: Base-Base interactions energy: -32.103 where: short stacking energy: -32.103 Base-Backbone interact. energy: -0.198 local terms energy: -43.655998 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -11.892 flat angles C4'-P-C4' energy: -10.395 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -76.424666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.424666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.424666 (E_RNA) where: Base-Base interactions energy: -35.404 where: short stacking energy: -33.282 Base-Backbone interact. energy: -0.065 local terms energy: -40.954953 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -161.154820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.154820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.154820 (E_RNA) where: Base-Base interactions energy: -94.252 where: short stacking energy: -56.752 Base-Backbone interact. energy: -0.023 local terms energy: -66.879927 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -14.779 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: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -143.794959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.794959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.794959 (E_RNA) where: Base-Base interactions energy: -90.927 where: short stacking energy: -49.912 Base-Backbone interact. energy: -0.542 local terms energy: -52.325881 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -12.261 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -9.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -118.127839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.127839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.127839 (E_RNA) where: Base-Base interactions energy: -55.777 where: short stacking energy: -51.851 Base-Backbone interact. energy: -0.003 local terms energy: -62.348562 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -16.053 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: 45 Temperature: 1.050000 Total energy: -131.456717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.456717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.456717 (E_RNA) where: Base-Base interactions energy: -71.428 where: short stacking energy: -42.505 Base-Backbone interact. energy: -0.185 local terms energy: -59.843653 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: -9.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -131.115156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.115156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.115156 (E_RNA) where: Base-Base interactions energy: -73.515 where: short stacking energy: -36.832 Base-Backbone interact. energy: -1.019 local terms energy: -56.581108 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -100.143031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.143031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.143031 (E_RNA) where: Base-Base interactions energy: -55.334 where: short stacking energy: -32.521 Base-Backbone interact. energy: 1.175 local terms energy: -45.983385 where: bonds (distance) C4'-P energy: -8.360 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -101.544234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.544234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.544234 (E_RNA) where: Base-Base interactions energy: -52.154 where: short stacking energy: -40.879 Base-Backbone interact. energy: -0.004 local terms energy: -49.386996 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -6.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -103.245942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.245942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.245942 (E_RNA) where: Base-Base interactions energy: -47.910 where: short stacking energy: -47.910 Base-Backbone interact. energy: -0.001 local terms energy: -55.334228 where: bonds (distance) C4'-P energy: -8.013 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -13.451 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: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -82.073767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.073767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.073767 (E_RNA) where: Base-Base interactions energy: -38.990 where: short stacking energy: -34.094 Base-Backbone interact. energy: -0.153 local terms energy: -42.929943 where: bonds (distance) C4'-P energy: -10.662 bonds (distance) P-C4' energy: -8.753 flat angles C4'-P-C4' energy: -10.164 flat angles P-C4'-P energy: -5.883 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: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -70.715313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.715313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.715313 (E_RNA) where: Base-Base interactions energy: -23.739 where: short stacking energy: -21.813 Base-Backbone interact. energy: -0.646 local terms energy: -46.330012 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -12.541 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -142.590327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.590327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.590327 (E_RNA) where: Base-Base interactions energy: -86.615 where: short stacking energy: -53.467 Base-Backbone interact. energy: -1.884 local terms energy: -54.091700 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -166.027815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.027815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.027815 (E_RNA) where: Base-Base interactions energy: -99.472 where: short stacking energy: -56.284 Base-Backbone interact. energy: -0.023 local terms energy: -66.533430 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -13.275 tors. eta vs tors. theta energy: -11.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -126.170169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.170169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.170169 (E_RNA) where: Base-Base interactions energy: -71.394 where: short stacking energy: -38.219 Base-Backbone interact. energy: -0.820 local terms energy: -53.956459 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -120.647271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.647271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.647271 (E_RNA) where: Base-Base interactions energy: -57.941 where: short stacking energy: -57.941 Base-Backbone interact. energy: -0.029 local terms energy: -62.678013 where: bonds (distance) C4'-P energy: -14.260 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -12.505 tors. eta vs tors. theta energy: -15.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -133.540217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.540217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.540217 (E_RNA) where: Base-Base interactions energy: -73.688 where: short stacking energy: -50.172 Base-Backbone interact. energy: -0.313 local terms energy: -59.539383 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -8.964 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: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -98.306383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.306383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.306383 (E_RNA) where: Base-Base interactions energy: -46.721 where: short stacking energy: -32.340 Base-Backbone interact. energy: -1.060 local terms energy: -50.525682 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -9.514 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -7.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -92.026235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.026235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.026235 (E_RNA) where: Base-Base interactions energy: -42.172 where: short stacking energy: -42.172 Base-Backbone interact. energy: -0.002 local terms energy: -49.852851 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -6.284 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: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -88.020646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.020646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.020646 (E_RNA) where: Base-Base interactions energy: -41.941 where: short stacking energy: -33.322 Base-Backbone interact. energy: -0.399 local terms energy: -45.680598 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -97.463944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.463944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.463944 (E_RNA) where: Base-Base interactions energy: -54.319 where: short stacking energy: -46.627 Base-Backbone interact. energy: -0.058 local terms energy: -43.086902 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -6.213 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -7.938 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: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -76.218272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.218272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.218272 (E_RNA) where: Base-Base interactions energy: -36.853 where: short stacking energy: -36.853 Base-Backbone interact. energy: -0.118 local terms energy: -39.247433 where: bonds (distance) C4'-P energy: -8.749 bonds (distance) P-C4' energy: -8.820 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -5.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -147.614167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.614167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.614167 (E_RNA) where: Base-Base interactions energy: -90.420 where: short stacking energy: -56.579 Base-Backbone interact. energy: -0.002 local terms energy: -57.192066 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -11.298 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -10.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -151.325443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.325443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.325443 (E_RNA) where: Base-Base interactions energy: -87.161 where: short stacking energy: -55.364 Base-Backbone interact. energy: -0.760 local terms energy: -63.404382 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -12.801 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: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -134.038486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.038486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.038486 (E_RNA) where: Base-Base interactions energy: -77.434 where: short stacking energy: -47.541 Base-Backbone interact. energy: 1.529 local terms energy: -58.133822 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -12.429 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -10.284 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: 9 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -131.925003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.925003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.925003 (E_RNA) where: Base-Base interactions energy: -83.445 where: short stacking energy: -48.525 Base-Backbone interact. energy: 0.034 local terms energy: -48.513520 where: bonds (distance) C4'-P energy: -9.303 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -7.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -90.846491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.846491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.846491 (E_RNA) where: Base-Base interactions energy: -42.649 where: short stacking energy: -42.649 Base-Backbone interact. energy: -0.181 local terms energy: -48.016892 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -90.662691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.662691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.662691 (E_RNA) where: Base-Base interactions energy: -40.462 where: short stacking energy: -36.245 Base-Backbone interact. energy: -0.238 local terms energy: -49.963202 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -9.699 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: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -89.237814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.237814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.237814 (E_RNA) where: Base-Base interactions energy: -40.026 where: short stacking energy: -37.843 Base-Backbone interact. energy: -0.032 local terms energy: -49.180136 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -11.710 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -80.907257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.907257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.907257 (E_RNA) where: Base-Base interactions energy: -38.299 where: short stacking energy: -31.748 Base-Backbone interact. energy: -0.087 local terms energy: -42.521379 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -7.809 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: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -73.986190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.986190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.986190 (E_RNA) where: Base-Base interactions energy: -30.982 where: short stacking energy: -30.542 Base-Backbone interact. energy: 1.901 local terms energy: -44.905803 where: bonds (distance) C4'-P energy: -8.652 bonds (distance) P-C4' energy: -12.738 flat angles C4'-P-C4' energy: -15.081 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -100.333660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.333660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.333660 (E_RNA) where: Base-Base interactions energy: -56.330 where: short stacking energy: -25.633 Base-Backbone interact. energy: 0.689 local terms energy: -44.692638 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -148.701239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.701239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.701239 (E_RNA) where: Base-Base interactions energy: -86.808 where: short stacking energy: -51.830 Base-Backbone interact. energy: -0.458 local terms energy: -61.435513 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -9.323 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: 2, replica: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -159.991598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.991598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.991598 (E_RNA) where: Base-Base interactions energy: -98.359 where: short stacking energy: -55.860 Base-Backbone interact. energy: -0.000 local terms energy: -61.632095 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -9.700 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -11.024 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -156.319754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.319754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.319754 (E_RNA) where: Base-Base interactions energy: -99.425 where: short stacking energy: -59.622 Base-Backbone interact. energy: -0.586 local terms energy: -56.308830 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -11.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -141.906658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.906658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.906658 (E_RNA) where: Base-Base interactions energy: -82.998 where: short stacking energy: -53.900 Base-Backbone interact. energy: -0.014 local terms energy: -58.895148 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -8.003 tors. eta vs tors. theta energy: -11.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -112.021588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.021588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.021588 (E_RNA) where: Base-Base interactions energy: -51.078 where: short stacking energy: -30.560 Base-Backbone interact. energy: -0.782 local terms energy: -60.161188 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -12.341 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: 6, replica: 10 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -99.548532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.548532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.548532 (E_RNA) where: Base-Base interactions energy: -60.480 where: short stacking energy: -39.354 Base-Backbone interact. energy: -0.198 local terms energy: -38.870211 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -9.713 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -93.371974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.371974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.371974 (E_RNA) where: Base-Base interactions energy: -48.316 where: short stacking energy: -39.889 Base-Backbone interact. energy: -0.048 local terms energy: -45.007625 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -11.507 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -86.939939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.939939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.939939 (E_RNA) where: Base-Base interactions energy: -40.659 where: short stacking energy: -35.548 Base-Backbone interact. energy: 0.045 local terms energy: -46.326050 where: bonds (distance) C4'-P energy: -8.746 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -111.460129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.460129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.460129 (E_RNA) where: Base-Base interactions energy: -67.270 where: short stacking energy: -36.015 Base-Backbone interact. energy: 3.503 local terms energy: -47.693523 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -5.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -74.977274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.977274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.977274 (E_RNA) where: Base-Base interactions energy: -31.258 where: short stacking energy: -30.702 Base-Backbone interact. energy: -0.250 local terms energy: -43.468869 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -7.402 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -174.233089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.233089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.233089 (E_RNA) where: Base-Base interactions energy: -112.706 where: short stacking energy: -66.231 Base-Backbone interact. energy: -0.088 local terms energy: -61.438895 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -10.556 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -15.388 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: 2, replica: 4 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -168.368795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.368795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.368795 (E_RNA) where: Base-Base interactions energy: -98.123 where: short stacking energy: -64.430 Base-Backbone interact. energy: -0.009 local terms energy: -70.237010 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -18.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -149.485485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.485485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.485485 (E_RNA) where: Base-Base interactions energy: -98.062 where: short stacking energy: -56.963 Base-Backbone interact. energy: -0.133 local terms energy: -51.290687 where: bonds (distance) C4'-P energy: -6.535 bonds (distance) P-C4' energy: -10.279 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -13.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -139.412271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.412271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.412271 (E_RNA) where: Base-Base interactions energy: -80.623 where: short stacking energy: -52.794 Base-Backbone interact. energy: -0.409 local terms energy: -58.379531 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -7.504 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: 5, replica: 2 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -121.174154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.174154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.174154 (E_RNA) where: Base-Base interactions energy: -76.307 where: short stacking energy: -48.137 Base-Backbone interact. energy: 0.016 local terms energy: -44.883300 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -96.629283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.629283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.629283 (E_RNA) where: Base-Base interactions energy: -57.357 where: short stacking energy: -41.436 Base-Backbone interact. energy: -0.216 local terms energy: -39.056662 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -10.483 flat angles C4'-P-C4' energy: -10.376 flat angles P-C4'-P energy: -5.970 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: 7, replica: 3 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -92.453385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.453385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.453385 (E_RNA) where: Base-Base interactions energy: -42.474 where: short stacking energy: -42.474 Base-Backbone interact. energy: -0.097 local terms energy: -49.882382 where: bonds (distance) C4'-P energy: -8.713 bonds (distance) P-C4' energy: -12.969 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -121.047849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.047849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.047849 (E_RNA) where: Base-Base interactions energy: -69.223 where: short stacking energy: -44.982 Base-Backbone interact. energy: -1.364 local terms energy: -50.461076 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -9.020 flat angles P-C4'-P energy: -8.622 tors. eta vs tors. theta energy: -9.290 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: 7 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -73.369534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.369534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.369534 (E_RNA) where: Base-Base interactions energy: -21.136 where: short stacking energy: -21.084 Base-Backbone interact. energy: -0.144 local terms energy: -52.089093 where: bonds (distance) C4'-P energy: -15.597 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -13.039 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -0.019 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: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -73.304642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.304642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.304642 (E_RNA) where: Base-Base interactions energy: -30.787 where: short stacking energy: -30.887 Base-Backbone interact. energy: 0.790 local terms energy: -43.307075 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -10.553 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -3.842 tors. eta vs tors. theta energy: -6.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -176.844646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.844646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.844646 (E_RNA) where: Base-Base interactions energy: -106.177 where: short stacking energy: -64.819 Base-Backbone interact. energy: -0.008 local terms energy: -70.660259 where: bonds (distance) C4'-P energy: -16.044 bonds (distance) P-C4' energy: -11.279 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -10.744 tors. eta vs tors. theta energy: -18.441 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: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -160.462484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.462484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.462484 (E_RNA) where: Base-Base interactions energy: -98.728 where: short stacking energy: -61.948 Base-Backbone interact. energy: -0.001 local terms energy: -61.733491 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -14.112 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -13.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -151.031183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.031183 (E_RNA) where: Base-Base interactions energy: -92.346 where: short stacking energy: -55.994 Base-Backbone interact. energy: -0.128 local terms energy: -58.557220 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -6.622 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: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -140.160440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.160440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.160440 (E_RNA) where: Base-Base interactions energy: -83.902 where: short stacking energy: -55.690 Base-Backbone interact. energy: -0.968 local terms energy: -55.291038 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -8.350 tors. eta vs tors. theta energy: -14.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -147.197285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.197285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.197285 (E_RNA) where: Base-Base interactions energy: -83.799 where: short stacking energy: -54.784 Base-Backbone interact. energy: -0.016 local terms energy: -63.382407 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -9.586 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: 6, replica: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -91.045588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.045588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.045588 (E_RNA) where: Base-Base interactions energy: -46.300 where: short stacking energy: -23.346 Base-Backbone interact. energy: -0.105 local terms energy: -44.640864 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -0.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -94.831556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.831556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.831556 (E_RNA) where: Base-Base interactions energy: -54.739 where: short stacking energy: -34.379 Base-Backbone interact. energy: -0.260 local terms energy: -39.832998 where: bonds (distance) C4'-P energy: -8.075 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -9.298 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -102.213296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.213296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.213296 (E_RNA) where: Base-Base interactions energy: -47.654 where: short stacking energy: -34.159 Base-Backbone interact. energy: -0.160 local terms energy: -54.398972 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -83.237796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.237796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.237796 (E_RNA) where: Base-Base interactions energy: -35.222 where: short stacking energy: -35.222 Base-Backbone interact. energy: -0.002 local terms energy: -48.014608 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -11.621 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -71.478893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.478893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.478893 (E_RNA) where: Base-Base interactions energy: -34.162 where: short stacking energy: -34.162 Base-Backbone interact. energy: -0.060 local terms energy: -37.256831 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: 0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -164.236377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.236377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.236377 (E_RNA) where: Base-Base interactions energy: -94.619 where: short stacking energy: -58.978 Base-Backbone interact. energy: -0.487 local terms energy: -69.131161 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -17.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -163.888889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.888889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.888889 (E_RNA) where: Base-Base interactions energy: -98.402 where: short stacking energy: -65.867 Base-Backbone interact. energy: -0.059 local terms energy: -65.428243 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -9.892 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: 3, replica: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -134.005542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.005542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.005542 (E_RNA) where: Base-Base interactions energy: -73.733 where: short stacking energy: -37.710 Base-Backbone interact. energy: -0.934 local terms energy: -59.337920 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -159.408528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.408528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.408528 (E_RNA) where: Base-Base interactions energy: -97.873 where: short stacking energy: -62.792 Base-Backbone interact. energy: -0.293 local terms energy: -61.243137 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -7.194 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -139.287737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.287737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.287737 (E_RNA) where: Base-Base interactions energy: -86.868 where: short stacking energy: -50.052 Base-Backbone interact. energy: -0.458 local terms energy: -51.961722 where: bonds (distance) C4'-P energy: -8.563 bonds (distance) P-C4' energy: -15.344 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -7.190 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: 6, replica: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -142.393301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.393301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.393301 (E_RNA) where: Base-Base interactions energy: -86.810 where: short stacking energy: -40.523 Base-Backbone interact. energy: -0.327 local terms energy: -55.256510 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.617 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -8.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -85.391618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.391618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.391618 (E_RNA) where: Base-Base interactions energy: -37.090 where: short stacking energy: -33.841 Base-Backbone interact. energy: -0.141 local terms energy: -48.160644 where: bonds (distance) C4'-P energy: -7.867 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -7.161 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: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -77.215551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.215551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.215551 (E_RNA) where: Base-Base interactions energy: -28.772 where: short stacking energy: -28.584 Base-Backbone interact. energy: -0.182 local terms energy: -48.261435 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -118.631414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.631414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.631414 (E_RNA) where: Base-Base interactions energy: -64.755 where: short stacking energy: -37.676 Base-Backbone interact. energy: -0.087 local terms energy: -53.789229 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -9.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -80.369655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.369655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.369655 (E_RNA) where: Base-Base interactions energy: -34.080 where: short stacking energy: -29.680 Base-Backbone interact. energy: -0.130 local terms energy: -46.160065 where: bonds (distance) C4'-P energy: -9.676 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -166.850917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.850917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.850917 (E_RNA) where: Base-Base interactions energy: -102.552 where: short stacking energy: -65.406 Base-Backbone interact. energy: -0.001 local terms energy: -64.298475 where: bonds (distance) C4'-P energy: -10.009 bonds (distance) P-C4' energy: -12.633 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -11.265 tors. eta vs tors. theta energy: -17.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -154.676730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.676730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.676730 (E_RNA) where: Base-Base interactions energy: -90.762 where: short stacking energy: -59.195 Base-Backbone interact. energy: 0.984 local terms energy: -64.898211 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -15.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -157.892091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.892091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.892091 (E_RNA) where: Base-Base interactions energy: -95.602 where: short stacking energy: -60.388 Base-Backbone interact. energy: -0.267 local terms energy: -62.023403 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -15.565 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: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -132.490583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.490583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.490583 (E_RNA) where: Base-Base interactions energy: -80.711 where: short stacking energy: -52.475 Base-Backbone interact. energy: -0.029 local terms energy: -51.750751 where: bonds (distance) C4'-P energy: -9.006 bonds (distance) P-C4' energy: -10.469 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -10.378 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: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -153.857556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.857556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.857556 (E_RNA) where: Base-Base interactions energy: -94.682 where: short stacking energy: -57.454 Base-Backbone interact. energy: -0.036 local terms energy: -59.139150 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -7.120 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: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -104.054537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.054537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.054537 (E_RNA) where: Base-Base interactions energy: -56.086 where: short stacking energy: -38.415 Base-Backbone interact. energy: 0.432 local terms energy: -48.401214 where: bonds (distance) C4'-P energy: -8.087 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -9.617 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -9.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -79.758266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.758266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.758266 (E_RNA) where: Base-Base interactions energy: -38.642 where: short stacking energy: -38.642 Base-Backbone interact. energy: -0.126 local terms energy: -40.990086 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -9.399 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -80.829127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.829127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.829127 (E_RNA) where: Base-Base interactions energy: -37.433 where: short stacking energy: -32.924 Base-Backbone interact. energy: 0.625 local terms energy: -44.021959 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -8.847 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -105.006553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.006553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.006553 (E_RNA) where: Base-Base interactions energy: -60.567 where: short stacking energy: -31.251 Base-Backbone interact. energy: -0.027 local terms energy: -44.412378 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -73.803296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.803296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.803296 (E_RNA) where: Base-Base interactions energy: -29.841 where: short stacking energy: -28.410 Base-Backbone interact. energy: 0.371 local terms energy: -44.334108 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -171.267818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.267818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.267818 (E_RNA) where: Base-Base interactions energy: -100.021 where: short stacking energy: -63.076 Base-Backbone interact. energy: -0.352 local terms energy: -70.894877 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -18.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -152.127955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.127955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.127955 (E_RNA) where: Base-Base interactions energy: -93.731 where: short stacking energy: -63.740 Base-Backbone interact. energy: -0.002 local terms energy: -58.395472 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -147.455103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.455103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.455103 (E_RNA) where: Base-Base interactions energy: -85.510 where: short stacking energy: -48.248 Base-Backbone interact. energy: -0.889 local terms energy: -61.056033 where: bonds (distance) C4'-P energy: -14.479 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -165.842754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.842754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.842754 (E_RNA) where: Base-Base interactions energy: -100.807 where: short stacking energy: -59.155 Base-Backbone interact. energy: -0.001 local terms energy: -65.034987 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -11.543 flat angles P-C4'-P energy: -8.970 tors. eta vs tors. theta energy: -16.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -132.589680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.589680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.589680 (E_RNA) where: Base-Base interactions energy: -74.039 where: short stacking energy: -44.921 Base-Backbone interact. energy: -0.020 local terms energy: -58.531168 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -10.895 flat angles P-C4'-P energy: -11.418 tors. eta vs tors. theta energy: -8.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -92.460744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.460744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.460744 (E_RNA) where: Base-Base interactions energy: -49.057 where: short stacking energy: -46.271 Base-Backbone interact. energy: -0.057 local terms energy: -43.346991 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -7.142 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -10.642 tors. eta vs tors. theta energy: -7.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -127.249409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.249409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.249409 (E_RNA) where: Base-Base interactions energy: -69.282 where: short stacking energy: -40.396 Base-Backbone interact. energy: -0.386 local terms energy: -57.581377 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -75.801806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.801806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.801806 (E_RNA) where: Base-Base interactions energy: -25.395 where: short stacking energy: -22.807 Base-Backbone interact. energy: -0.106 local terms energy: -50.301519 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -76.189947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.189947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.189947 (E_RNA) where: Base-Base interactions energy: -32.051 where: short stacking energy: -32.051 Base-Backbone interact. energy: -0.097 local terms energy: -44.041605 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -71.702210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.702210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.702210 (E_RNA) where: Base-Base interactions energy: -31.881 where: short stacking energy: -29.435 Base-Backbone interact. energy: 1.440 local terms energy: -41.261473 where: bonds (distance) C4'-P energy: -6.973 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -6.360 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: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -166.833713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.833713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.833713 (E_RNA) where: Base-Base interactions energy: -99.793 where: short stacking energy: -60.505 Base-Backbone interact. energy: -0.018 local terms energy: -67.022291 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -10.882 tors. eta vs tors. theta energy: -16.158 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: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -151.599959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.599959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.599959 (E_RNA) where: Base-Base interactions energy: -86.814 where: short stacking energy: -53.020 Base-Backbone interact. energy: -0.003 local terms energy: -64.783074 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -10.869 tors. eta vs tors. theta energy: -9.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -149.108229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.108229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.108229 (E_RNA) where: Base-Base interactions energy: -90.571 where: short stacking energy: -55.347 Base-Backbone interact. energy: -0.003 local terms energy: -58.533436 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -13.511 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: 2 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -134.588227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.588227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.588227 (E_RNA) where: Base-Base interactions energy: -79.403 where: short stacking energy: -52.987 Base-Backbone interact. energy: -0.001 local terms energy: -55.184802 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -12.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -136.613459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.613459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.613459 (E_RNA) where: Base-Base interactions energy: -86.560 where: short stacking energy: -45.299 Base-Backbone interact. energy: -0.033 local terms energy: -50.020812 where: bonds (distance) C4'-P energy: -10.162 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -11.988 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -8.365 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: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -87.325622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.325622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.325622 (E_RNA) where: Base-Base interactions energy: -38.572 where: short stacking energy: -38.372 Base-Backbone interact. energy: -0.137 local terms energy: -48.616274 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: -11.830 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: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -118.581581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.581581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.581581 (E_RNA) where: Base-Base interactions energy: -67.526 where: short stacking energy: -42.155 Base-Backbone interact. energy: -0.071 local terms energy: -50.984178 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -6.962 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: 54 Temperature: 1.250000 Total energy: -88.387592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.387592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.387592 (E_RNA) where: Base-Base interactions energy: -44.198 where: short stacking energy: -41.082 Base-Backbone interact. energy: -0.256 local terms energy: -43.933360 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -68.850393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.850393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.850393 (E_RNA) where: Base-Base interactions energy: -27.545 where: short stacking energy: -27.545 Base-Backbone interact. energy: -0.617 local terms energy: -40.688897 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -8.236 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -5.762 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -77.213937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.213937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.213937 (E_RNA) where: Base-Base interactions energy: -29.156 where: short stacking energy: -28.579 Base-Backbone interact. energy: -0.049 local terms energy: -48.008286 where: bonds (distance) C4'-P energy: -6.774 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -164.993193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.993193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.993193 (E_RNA) where: Base-Base interactions energy: -97.242 where: short stacking energy: -59.206 Base-Backbone interact. energy: -0.001 local terms energy: -67.749466 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -16.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -154.127224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.127224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.127224 (E_RNA) where: Base-Base interactions energy: -100.325 where: short stacking energy: -59.386 Base-Backbone interact. energy: -0.005 local terms energy: -53.797839 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -10.642 flat angles P-C4'-P energy: -5.418 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: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -150.636883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.636883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.636883 (E_RNA) where: Base-Base interactions energy: -89.429 where: short stacking energy: -53.735 Base-Backbone interact. energy: -0.145 local terms energy: -61.063102 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -12.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -130.492631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.492631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.492631 (E_RNA) where: Base-Base interactions energy: -78.494 where: short stacking energy: -46.373 Base-Backbone interact. energy: -0.038 local terms energy: -51.959917 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -12.174 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -6.921 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: 9 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -135.504109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.504109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.504109 (E_RNA) where: Base-Base interactions energy: -82.715 where: short stacking energy: -52.358 Base-Backbone interact. energy: -0.698 local terms energy: -52.091668 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -11.631 flat angles C4'-P-C4' energy: -10.783 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -11.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -137.192839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.192839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.192839 (E_RNA) where: Base-Base interactions energy: -75.675 where: short stacking energy: -46.628 Base-Backbone interact. energy: -0.017 local terms energy: -61.500137 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -8.953 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: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -93.866352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.866352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.866352 (E_RNA) where: Base-Base interactions energy: -45.801 where: short stacking energy: -44.617 Base-Backbone interact. energy: 0.375 local terms energy: -48.440202 where: bonds (distance) C4'-P energy: -10.339 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -85.981380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.981380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.981380 (E_RNA) where: Base-Base interactions energy: -38.074 where: short stacking energy: -33.757 Base-Backbone interact. energy: -0.016 local terms energy: -47.891235 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -8.490 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -78.583262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.583262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.583262 (E_RNA) where: Base-Base interactions energy: -33.309 where: short stacking energy: -33.309 Base-Backbone interact. energy: 0.503 local terms energy: -45.776902 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -12.227 flat angles C4'-P-C4' energy: -9.171 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -72.989016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.989016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.989016 (E_RNA) where: Base-Base interactions energy: -28.914 where: short stacking energy: -26.023 Base-Backbone interact. energy: -0.786 local terms energy: -43.288308 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: 1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -163.713950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.713950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.713950 (E_RNA) where: Base-Base interactions energy: -99.756 where: short stacking energy: -67.741 Base-Backbone interact. energy: -0.008 local terms energy: -63.950274 where: bonds (distance) C4'-P energy: -10.372 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -9.257 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: 2, replica: 6 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -145.351981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.351981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.351981 (E_RNA) where: Base-Base interactions energy: -86.437 where: short stacking energy: -54.200 Base-Backbone interact. energy: -0.594 local terms energy: -58.321026 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -7.432 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: 3, replica: 2 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -139.560985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.560985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.560985 (E_RNA) where: Base-Base interactions energy: -81.826 where: short stacking energy: -48.622 Base-Backbone interact. energy: -0.025 local terms energy: -57.710064 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -9.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -140.893772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.893772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.893772 (E_RNA) where: Base-Base interactions energy: -83.369 where: short stacking energy: -51.393 Base-Backbone interact. energy: -0.061 local terms energy: -57.463974 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -10.930 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -10.739 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: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -136.181013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.181013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.181013 (E_RNA) where: Base-Base interactions energy: -82.224 where: short stacking energy: -48.811 Base-Backbone interact. energy: -0.079 local terms energy: -53.878288 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -10.587 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -10.703 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: 9 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -114.401686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.401686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.401686 (E_RNA) where: Base-Base interactions energy: -59.588 where: short stacking energy: -32.602 Base-Backbone interact. energy: -0.030 local terms energy: -54.784279 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -7.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -85.624391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.624391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.624391 (E_RNA) where: Base-Base interactions energy: -39.081 where: short stacking energy: -39.081 Base-Backbone interact. energy: -0.008 local terms energy: -46.536334 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -11.324 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -8.722 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: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -88.790680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.790680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.790680 (E_RNA) where: Base-Base interactions energy: -44.754 where: short stacking energy: -44.754 Base-Backbone interact. energy: -0.013 local terms energy: -44.023258 where: bonds (distance) C4'-P energy: -9.858 bonds (distance) P-C4' energy: -9.479 flat angles C4'-P-C4' energy: -11.276 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -10.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -66.712822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.712822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.712822 (E_RNA) where: Base-Base interactions energy: -20.467 where: short stacking energy: -20.467 Base-Backbone interact. energy: -0.276 local terms energy: -45.969726 where: bonds (distance) C4'-P energy: -11.833 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -81.314261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.314261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.314261 (E_RNA) where: Base-Base interactions energy: -37.783 where: short stacking energy: -22.957 Base-Backbone interact. energy: -1.394 local terms energy: -42.137922 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -14.458 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: 3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -158.510107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.510107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.510107 (E_RNA) where: Base-Base interactions energy: -90.633 where: short stacking energy: -62.691 Base-Backbone interact. energy: -0.017 local terms energy: -67.860274 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -15.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -142.258800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.258800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.258800 (E_RNA) where: Base-Base interactions energy: -85.251 where: short stacking energy: -51.665 Base-Backbone interact. energy: 2.392 local terms energy: -59.399817 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -10.465 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: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -148.229630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.229630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.229630 (E_RNA) where: Base-Base interactions energy: -89.391 where: short stacking energy: -51.345 Base-Backbone interact. energy: -0.129 local terms energy: -58.709844 where: bonds (distance) C4'-P energy: -14.869 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -11.362 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: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -150.300198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.300198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.300198 (E_RNA) where: Base-Base interactions energy: -91.373 where: short stacking energy: -56.710 Base-Backbone interact. energy: -0.192 local terms energy: -58.735362 where: bonds (distance) C4'-P energy: -8.053 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -139.646029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.646029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.646029 (E_RNA) where: Base-Base interactions energy: -85.103 where: short stacking energy: -50.880 Base-Backbone interact. energy: -0.019 local terms energy: -54.524836 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -11.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -124.615224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.615224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.615224 (E_RNA) where: Base-Base interactions energy: -74.680 where: short stacking energy: -42.647 Base-Backbone interact. energy: -0.097 local terms energy: -49.838807 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -9.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -88.901015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.901015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.901015 (E_RNA) where: Base-Base interactions energy: -40.973 where: short stacking energy: -40.973 Base-Backbone interact. energy: -0.432 local terms energy: -47.496408 where: bonds (distance) C4'-P energy: -9.850 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -10.247 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: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -84.861556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.861556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.861556 (E_RNA) where: Base-Base interactions energy: -33.782 where: short stacking energy: -33.782 Base-Backbone interact. energy: -0.079 local terms energy: -51.000722 where: bonds (distance) C4'-P energy: -11.047 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -8.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -80.515240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.515240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.515240 (E_RNA) where: Base-Base interactions energy: -35.509 where: short stacking energy: -31.793 Base-Backbone interact. energy: -0.085 local terms energy: -44.921111 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -70.926883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.926883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.926883 (E_RNA) where: Base-Base interactions energy: -28.803 where: short stacking energy: -28.208 Base-Backbone interact. energy: -0.054 local terms energy: -42.069741 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -6.694 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -145.947808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.947808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.947808 (E_RNA) where: Base-Base interactions energy: -89.284 where: short stacking energy: -55.083 Base-Backbone interact. energy: 1.047 local terms energy: -57.710748 where: bonds (distance) C4'-P energy: -9.071 bonds (distance) P-C4' energy: -16.235 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -10.108 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: 58 Temperature: 0.950000 Total energy: -157.008272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.008272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.008272 (E_RNA) where: Base-Base interactions energy: -89.692 where: short stacking energy: -56.784 Base-Backbone interact. energy: -0.045 local terms energy: -67.271332 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -14.080 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: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -150.564040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.564040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.564040 (E_RNA) where: Base-Base interactions energy: -91.582 where: short stacking energy: -59.138 Base-Backbone interact. energy: -0.809 local terms energy: -58.172699 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -13.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -131.353980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.353980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.353980 (E_RNA) where: Base-Base interactions energy: -73.457 where: short stacking energy: -46.841 Base-Backbone interact. energy: -0.007 local terms energy: -57.890466 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -12.244 flat angles P-C4'-P energy: -10.465 tors. eta vs tors. theta energy: -7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -132.738579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.738579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.738579 (E_RNA) where: Base-Base interactions energy: -82.843 where: short stacking energy: -50.127 Base-Backbone interact. energy: -0.062 local terms energy: -49.833514 where: bonds (distance) C4'-P energy: -9.573 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -10.939 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -118.027953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.027953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.027953 (E_RNA) where: Base-Base interactions energy: -69.056 where: short stacking energy: -46.690 Base-Backbone interact. energy: -0.101 local terms energy: -48.870690 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -6.474 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: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -81.560002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.560002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.560002 (E_RNA) where: Base-Base interactions energy: -36.432 where: short stacking energy: -32.187 Base-Backbone interact. energy: -0.169 local terms energy: -44.959583 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -12.519 flat angles C4'-P-C4' energy: -14.425 flat angles P-C4'-P energy: -8.402 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -89.757452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.757452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.757452 (E_RNA) where: Base-Base interactions energy: -42.554 where: short stacking energy: -42.554 Base-Backbone interact. energy: 1.110 local terms energy: -48.313350 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -82.399213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.399213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.399213 (E_RNA) where: Base-Base interactions energy: -39.956 where: short stacking energy: -35.439 Base-Backbone interact. energy: -0.103 local terms energy: -42.339493 where: bonds (distance) C4'-P energy: -8.253 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -10.640 flat angles P-C4'-P energy: -0.816 tors. eta vs tors. theta energy: -6.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -68.718937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.718937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.718937 (E_RNA) where: Base-Base interactions energy: -31.250 where: short stacking energy: -26.140 Base-Backbone interact. energy: -0.424 local terms energy: -37.044978 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: 1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -162.265155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.265155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.265155 (E_RNA) where: Base-Base interactions energy: -92.829 where: short stacking energy: -58.962 Base-Backbone interact. energy: -0.066 local terms energy: -69.369901 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -13.724 flat angles P-C4'-P energy: -12.027 tors. eta vs tors. theta energy: -14.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -153.270797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.270797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.270797 (E_RNA) where: Base-Base interactions energy: -88.099 where: short stacking energy: -52.213 Base-Backbone interact. energy: -0.001 local terms energy: -65.170805 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -16.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -139.773000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.773000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.773000 (E_RNA) where: Base-Base interactions energy: -80.065 where: short stacking energy: -49.723 Base-Backbone interact. energy: -0.818 local terms energy: -58.889629 where: bonds (distance) C4'-P energy: -8.740 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -10.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -144.629541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.629541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.629541 (E_RNA) where: Base-Base interactions energy: -86.232 where: short stacking energy: -51.620 Base-Backbone interact. energy: 0.331 local terms energy: -58.727604 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -9.362 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: 59 Temperature: 1.100000 Total energy: -137.009605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.009605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.009605 (E_RNA) where: Base-Base interactions energy: -76.458 where: short stacking energy: -45.325 Base-Backbone interact. energy: -0.109 local terms energy: -60.442717 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -8.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -118.768759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.768759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.768759 (E_RNA) where: Base-Base interactions energy: -64.231 where: short stacking energy: -41.148 Base-Backbone interact. energy: -0.331 local terms energy: -54.206165 where: bonds (distance) C4'-P energy: -9.086 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -13.165 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: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -106.437272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.437272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.437272 (E_RNA) where: Base-Base interactions energy: -57.609 where: short stacking energy: -44.823 Base-Backbone interact. energy: -0.038 local terms energy: -48.790224 where: bonds (distance) C4'-P energy: -9.416 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -9.610 flat angles P-C4'-P energy: -6.472 tors. eta vs tors. theta energy: -9.487 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: 8, replica: 3 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -98.432332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.432332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.432332 (E_RNA) where: Base-Base interactions energy: -49.042 where: short stacking energy: -49.042 Base-Backbone interact. energy: -0.002 local terms energy: -49.388515 where: bonds (distance) C4'-P energy: -11.101 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -7.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -72.712547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.712547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.712547 (E_RNA) where: Base-Base interactions energy: -31.084 where: short stacking energy: -18.776 Base-Backbone interact. energy: 0.604 local terms energy: -42.232827 where: bonds (distance) C4'-P energy: -8.091 bonds (distance) P-C4' energy: -13.413 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -9.175 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: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -75.511758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.511758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.511758 (E_RNA) where: Base-Base interactions energy: -31.764 where: short stacking energy: -30.416 Base-Backbone interact. energy: -0.119 local terms energy: -43.628863 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -11.252 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -150.879592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.879592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.879592 (E_RNA) where: Base-Base interactions energy: -90.558 where: short stacking energy: -56.867 Base-Backbone interact. energy: 0.514 local terms energy: -60.835445 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -7.331 tors. eta vs tors. theta energy: -12.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -162.804563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.804563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.804563 (E_RNA) where: Base-Base interactions energy: -97.875 where: short stacking energy: -64.388 Base-Backbone interact. energy: -0.304 local terms energy: -64.624764 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -8.688 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -11.754 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: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -138.472693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.472693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.472693 (E_RNA) where: Base-Base interactions energy: -84.583 where: short stacking energy: -55.665 Base-Backbone interact. energy: -0.214 local terms energy: -53.675038 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -11.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -137.449810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.449810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.449810 (E_RNA) where: Base-Base interactions energy: -79.918 where: short stacking energy: -44.437 Base-Backbone interact. energy: -0.529 local terms energy: -57.003390 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -8.214 tors. eta vs tors. theta energy: -10.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -136.280619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.280619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.280619 (E_RNA) where: Base-Base interactions energy: -87.855 where: short stacking energy: -55.160 Base-Backbone interact. energy: -0.001 local terms energy: -48.424973 where: bonds (distance) C4'-P energy: -6.447 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -95.327952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.327952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.327952 (E_RNA) where: Base-Base interactions energy: -43.848 where: short stacking energy: -43.848 Base-Backbone interact. energy: -0.646 local terms energy: -50.833673 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -12.261 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -7.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -83.680248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.680248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.680248 (E_RNA) where: Base-Base interactions energy: -33.756 where: short stacking energy: -33.751 Base-Backbone interact. energy: -0.415 local terms energy: -49.509164 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -8.959 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -5.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -81.495404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.495404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.495404 (E_RNA) where: Base-Base interactions energy: -34.107 where: short stacking energy: -32.283 Base-Backbone interact. energy: 0.754 local terms energy: -48.142102 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -8.849 flat angles C4'-P-C4' energy: -10.117 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -8.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -73.426803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.426803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.426803 (E_RNA) where: Base-Base interactions energy: -38.273 where: short stacking energy: -28.719 Base-Backbone interact. energy: -0.561 local terms energy: -34.592210 where: bonds (distance) C4'-P energy: -6.638 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -0.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -83.025047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.025047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.025047 (E_RNA) where: Base-Base interactions energy: -34.215 where: short stacking energy: -34.215 Base-Backbone interact. energy: -0.109 local terms energy: -48.700433 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -9.387 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -148.752468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.752468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.752468 (E_RNA) where: Base-Base interactions energy: -85.406 where: short stacking energy: -53.109 Base-Backbone interact. energy: -0.215 local terms energy: -63.131526 where: bonds (distance) C4'-P energy: -11.979 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -14.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -140.699737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.699737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.699737 (E_RNA) where: Base-Base interactions energy: -83.135 where: short stacking energy: -45.169 Base-Backbone interact. energy: -0.169 local terms energy: -57.395576 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.974 flat angles C4'-P-C4' energy: -10.409 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -8.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -144.581955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.581955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.581955 (E_RNA) where: Base-Base interactions energy: -85.574 where: short stacking energy: -53.991 Base-Backbone interact. energy: -0.230 local terms energy: -58.777845 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -14.416 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: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -130.342585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.342585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.342585 (E_RNA) where: Base-Base interactions energy: -74.467 where: short stacking energy: -49.590 Base-Backbone interact. energy: -0.029 local terms energy: -55.846002 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -10.708 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: 1 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -145.666725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.666725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.666725 (E_RNA) where: Base-Base interactions energy: -91.697 where: short stacking energy: -51.813 Base-Backbone interact. energy: -0.790 local terms energy: -53.179765 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -8.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -92.645283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.645283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.645283 (E_RNA) where: Base-Base interactions energy: -39.267 where: short stacking energy: -39.667 Base-Backbone interact. energy: -0.128 local terms energy: -53.250282 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -5.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -89.408976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.408976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.408976 (E_RNA) where: Base-Base interactions energy: -51.202 where: short stacking energy: -37.185 Base-Backbone interact. energy: 2.038 local terms energy: -40.244823 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -11.265 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -7.232 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: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -81.440045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.440045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.440045 (E_RNA) where: Base-Base interactions energy: -36.411 where: short stacking energy: -36.411 Base-Backbone interact. energy: -0.067 local terms energy: -44.962684 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -11.554 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -101.493867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.493867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.493867 (E_RNA) where: Base-Base interactions energy: -55.584 where: short stacking energy: -41.177 Base-Backbone interact. energy: -0.473 local terms energy: -45.436481 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -88.778526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.778526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.778526 (E_RNA) where: Base-Base interactions energy: -43.592 where: short stacking energy: -24.675 Base-Backbone interact. energy: -0.143 local terms energy: -45.042790 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -13.263 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -167.153439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.153439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.153439 (E_RNA) where: Base-Base interactions energy: -104.607 where: short stacking energy: -63.998 Base-Backbone interact. energy: -0.001 local terms energy: -62.545490 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -5.366 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: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -155.314131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.314131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.314131 (E_RNA) where: Base-Base interactions energy: -88.240 where: short stacking energy: -55.928 Base-Backbone interact. energy: -0.158 local terms energy: -66.916187 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -15.135 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -14.139 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: 5 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -148.807063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.807063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.807063 (E_RNA) where: Base-Base interactions energy: -87.893 where: short stacking energy: -54.420 Base-Backbone interact. energy: -0.318 local terms energy: -60.596493 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -12.939 flat angles P-C4'-P energy: -9.984 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: 4, replica: 6 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -143.612908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.612908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.612908 (E_RNA) where: Base-Base interactions energy: -86.894 where: short stacking energy: -59.951 Base-Backbone interact. energy: -0.001 local terms energy: -56.718106 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -13.689 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -11.649 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: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -128.246410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.246410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.246410 (E_RNA) where: Base-Base interactions energy: -75.890 where: short stacking energy: -43.587 Base-Backbone interact. energy: -0.746 local terms energy: -51.610572 where: bonds (distance) C4'-P energy: -9.752 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -9.273 flat angles P-C4'-P energy: -8.039 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: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -98.266345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.266345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.266345 (E_RNA) where: Base-Base interactions energy: -37.184 where: short stacking energy: -36.624 Base-Backbone interact. energy: -0.153 local terms energy: -60.929876 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -10.642 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: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -91.568981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.568981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.568981 (E_RNA) where: Base-Base interactions energy: -41.079 where: short stacking energy: -40.979 Base-Backbone interact. energy: -0.015 local terms energy: -50.474821 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -10.235 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -91.179997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.179997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.179997 (E_RNA) where: Base-Base interactions energy: -45.362 where: short stacking energy: -39.759 Base-Backbone interact. energy: -0.023 local terms energy: -45.794190 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -5.354 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: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -85.760239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.760239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.760239 (E_RNA) where: Base-Base interactions energy: -41.976 where: short stacking energy: -29.917 Base-Backbone interact. energy: -0.011 local terms energy: -43.773106 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -9.087 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -70.358969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.358969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.358969 (E_RNA) where: Base-Base interactions energy: -27.847 where: short stacking energy: -26.609 Base-Backbone interact. energy: -0.253 local terms energy: -42.258715 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -11.723 flat angles C4'-P-C4' energy: -8.687 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -3.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -163.592648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.592648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.592648 (E_RNA) where: Base-Base interactions energy: -97.768 where: short stacking energy: -66.441 Base-Backbone interact. energy: -0.347 local terms energy: -65.478102 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -12.214 tors. eta vs tors. theta energy: -15.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -162.465201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.465201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.465201 (E_RNA) where: Base-Base interactions energy: -94.771 where: short stacking energy: -65.293 Base-Backbone interact. energy: -0.043 local terms energy: -67.651267 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -13.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -153.916209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.916209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.916209 (E_RNA) where: Base-Base interactions energy: -92.330 where: short stacking energy: -60.602 Base-Backbone interact. energy: -0.105 local terms energy: -61.481248 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -8.970 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -9.390 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: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -141.083368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.083368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.083368 (E_RNA) where: Base-Base interactions energy: -86.776 where: short stacking energy: -49.952 Base-Backbone interact. energy: -0.023 local terms energy: -54.284535 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -8.236 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: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -126.551849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.551849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.551849 (E_RNA) where: Base-Base interactions energy: -80.260 where: short stacking energy: -50.616 Base-Backbone interact. energy: 1.341 local terms energy: -47.632937 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -11.825 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -7.894 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: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -90.279641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.279641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.279641 (E_RNA) where: Base-Base interactions energy: -40.974 where: short stacking energy: -40.974 Base-Backbone interact. energy: -0.049 local terms energy: -49.256607 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -7.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -105.021343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.021343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.021343 (E_RNA) where: Base-Base interactions energy: -51.598 where: short stacking energy: -38.083 Base-Backbone interact. energy: -0.125 local terms energy: -53.298804 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -11.075 tors. eta vs tors. theta energy: -6.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -69.942369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.942369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.942369 (E_RNA) where: Base-Base interactions energy: -31.582 where: short stacking energy: -31.582 Base-Backbone interact. energy: -0.269 local terms energy: -38.091021 where: bonds (distance) C4'-P energy: -6.253 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -101.013021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.013021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.013021 (E_RNA) where: Base-Base interactions energy: -58.342 where: short stacking energy: -28.380 Base-Backbone interact. energy: 1.170 local terms energy: -43.840776 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -13.207 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: 0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -78.776979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.776979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.776979 (E_RNA) where: Base-Base interactions energy: -39.527 where: short stacking energy: -34.506 Base-Backbone interact. energy: -0.434 local terms energy: -38.816361 where: bonds (distance) C4'-P energy: -8.633 bonds (distance) P-C4' energy: -10.797 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -170.410062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.410062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.410062 (E_RNA) where: Base-Base interactions energy: -100.965 where: short stacking energy: -63.473 Base-Backbone interact. energy: -0.003 local terms energy: -69.441890 where: bonds (distance) C4'-P energy: -15.568 bonds (distance) P-C4' energy: -12.509 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -11.961 tors. eta vs tors. theta energy: -14.955 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: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -162.230695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.230695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.230695 (E_RNA) where: Base-Base interactions energy: -94.816 where: short stacking energy: -59.005 Base-Backbone interact. energy: 1.009 local terms energy: -68.423036 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -9.041 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: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -153.432427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.432427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.432427 (E_RNA) where: Base-Base interactions energy: -93.556 where: short stacking energy: -61.846 Base-Backbone interact. energy: -0.003 local terms energy: -59.873336 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -10.375 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -14.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -144.662326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.662326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.662326 (E_RNA) where: Base-Base interactions energy: -87.351 where: short stacking energy: -57.008 Base-Backbone interact. energy: -0.064 local terms energy: -57.247856 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -11.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -128.174317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.174317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.174317 (E_RNA) where: Base-Base interactions energy: -77.002 where: short stacking energy: -44.248 Base-Backbone interact. energy: -0.050 local terms energy: -51.122198 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -7.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -107.392327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.392327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.392327 (E_RNA) where: Base-Base interactions energy: -64.441 where: short stacking energy: -42.943 Base-Backbone interact. energy: -0.421 local terms energy: -42.530301 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -8.527 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -10.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -101.898415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.898415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.898415 (E_RNA) where: Base-Base interactions energy: -48.296 where: short stacking energy: -47.350 Base-Backbone interact. energy: -0.020 local terms energy: -53.582858 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -12.090 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -90.999389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.999389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.999389 (E_RNA) where: Base-Base interactions energy: -48.248 where: short stacking energy: -43.709 Base-Backbone interact. energy: -0.127 local terms energy: -42.624793 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -9.869 flat angles C4'-P-C4' energy: -3.733 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -9.500 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: 64 Temperature: 1.300000 Total energy: -99.132666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.132666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.132666 (E_RNA) where: Base-Base interactions energy: -61.964 where: short stacking energy: -32.958 Base-Backbone interact. energy: 2.142 local terms energy: -39.310620 where: bonds (distance) C4'-P energy: -10.625 bonds (distance) P-C4' energy: -9.770 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -8.045 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -67.802478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.802478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.802478 (E_RNA) where: Base-Base interactions energy: -35.035 where: short stacking energy: -32.140 Base-Backbone interact. energy: -1.022 local terms energy: -31.745125 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: 1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -154.720107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.720107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.720107 (E_RNA) where: Base-Base interactions energy: -95.668 where: short stacking energy: -62.414 Base-Backbone interact. energy: -0.029 local terms energy: -59.022925 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -12.148 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: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -158.015050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.015050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.015050 (E_RNA) where: Base-Base interactions energy: -94.245 where: short stacking energy: -59.663 Base-Backbone interact. energy: -0.175 local terms energy: -63.594486 where: bonds (distance) C4'-P energy: -10.671 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -8.475 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: 3, replica: 2 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -149.287927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.287927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.287927 (E_RNA) where: Base-Base interactions energy: -91.028 where: short stacking energy: -51.114 Base-Backbone interact. energy: -0.121 local terms energy: -58.139362 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -10.280 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -12.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -138.773308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.773308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.773308 (E_RNA) where: Base-Base interactions energy: -82.491 where: short stacking energy: -55.138 Base-Backbone interact. energy: -0.076 local terms energy: -56.205898 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -11.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -136.617543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.617543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.617543 (E_RNA) where: Base-Base interactions energy: -81.303 where: short stacking energy: -53.725 Base-Backbone interact. energy: -0.411 local terms energy: -54.903450 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -10.497 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -10.030 tors. eta vs tors. theta energy: -13.867 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: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -96.562553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.562553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.562553 (E_RNA) where: Base-Base interactions energy: -45.268 where: short stacking energy: -45.268 Base-Backbone interact. energy: -0.019 local terms energy: -51.275460 where: bonds (distance) C4'-P energy: -11.200 bonds (distance) P-C4' energy: -12.821 flat angles C4'-P-C4' energy: -11.829 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -7.788 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: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -106.684471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.684471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.684471 (E_RNA) where: Base-Base interactions energy: -56.383 where: short stacking energy: -49.838 Base-Backbone interact. energy: 0.848 local terms energy: -51.149686 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -10.541 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -6.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -103.632057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.632057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.632057 (E_RNA) where: Base-Base interactions energy: -55.246 where: short stacking energy: -31.679 Base-Backbone interact. energy: -0.059 local terms energy: -48.326691 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -10.970 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -66.781441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.781441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.781441 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -17.805 Base-Backbone interact. energy: -0.270 local terms energy: -42.001436 where: bonds (distance) C4'-P energy: -10.009 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -2.398 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: 7 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -76.307617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.307617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.307617 (E_RNA) where: Base-Base interactions energy: -28.638 where: short stacking energy: -28.638 Base-Backbone interact. energy: -0.020 local terms energy: -47.649804 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -157.323506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.323506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.323506 (E_RNA) where: Base-Base interactions energy: -96.846 where: short stacking energy: -59.672 Base-Backbone interact. energy: -0.164 local terms energy: -60.313034 where: bonds (distance) C4'-P energy: -8.348 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -16.250 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -12.862 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: 66 Temperature: 0.950000 Total energy: -156.226775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.226775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.226775 (E_RNA) where: Base-Base interactions energy: -88.992 where: short stacking energy: -59.939 Base-Backbone interact. energy: -0.003 local terms energy: -67.232002 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -155.667369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.667369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.667369 (E_RNA) where: Base-Base interactions energy: -90.962 where: short stacking energy: -58.379 Base-Backbone interact. energy: 0.252 local terms energy: -64.957551 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -14.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -134.354624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.354624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.354624 (E_RNA) where: Base-Base interactions energy: -77.850 where: short stacking energy: -47.513 Base-Backbone interact. energy: 0.167 local terms energy: -56.672016 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -9.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -106.087844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.087844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.087844 (E_RNA) where: Base-Base interactions energy: -58.289 where: short stacking energy: -37.221 Base-Backbone interact. energy: -0.145 local terms energy: -47.653904 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -11.808 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -0.644 tors. eta vs tors. theta energy: -8.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -122.428842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.428842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.428842 (E_RNA) where: Base-Base interactions energy: -73.553 where: short stacking energy: -39.334 Base-Backbone interact. energy: -0.044 local terms energy: -48.831303 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -86.048570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.048570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.048570 (E_RNA) where: Base-Base interactions energy: -34.794 where: short stacking energy: -33.266 Base-Backbone interact. energy: -0.236 local terms energy: -51.018297 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -13.242 flat angles C4'-P-C4' energy: -13.172 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -83.508455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.508455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.508455 (E_RNA) where: Base-Base interactions energy: -42.824 where: short stacking energy: -41.340 Base-Backbone interact. energy: -0.100 local terms energy: -40.583729 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -93.998640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.998640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.998640 (E_RNA) where: Base-Base interactions energy: -47.316 where: short stacking energy: -45.848 Base-Backbone interact. energy: -0.073 local terms energy: -46.609789 where: bonds (distance) C4'-P energy: -6.663 bonds (distance) P-C4' energy: -11.042 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -10.887 tors. eta vs tors. theta energy: -11.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -80.152586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.152586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.152586 (E_RNA) where: Base-Base interactions energy: -32.043 where: short stacking energy: -31.740 Base-Backbone interact. energy: 0.508 local terms energy: -48.617555 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -3.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -146.550823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.550823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.550823 (E_RNA) where: Base-Base interactions energy: -85.707 where: short stacking energy: -54.028 Base-Backbone interact. energy: -0.150 local terms energy: -60.693665 where: bonds (distance) C4'-P energy: -15.588 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -11.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -154.017198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.017198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.017198 (E_RNA) where: Base-Base interactions energy: -92.721 where: short stacking energy: -61.232 Base-Backbone interact. energy: -0.727 local terms energy: -60.568997 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -15.861 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: 67 Temperature: 1.000000 Total energy: -152.837015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.837015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.837015 (E_RNA) where: Base-Base interactions energy: -89.266 where: short stacking energy: -57.132 Base-Backbone interact. energy: -0.007 local terms energy: -63.564578 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -12.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -137.135215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.135215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.135215 (E_RNA) where: Base-Base interactions energy: -86.752 where: short stacking energy: -55.594 Base-Backbone interact. energy: -0.284 local terms energy: -50.099772 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -10.379 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -10.834 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: 67 Temperature: 1.100000 Total energy: -116.329454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.329454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.329454 (E_RNA) where: Base-Base interactions energy: -53.869 where: short stacking energy: -53.869 Base-Backbone interact. energy: 0.135 local terms energy: -62.595569 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -11.536 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -10.337 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: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -125.221028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.221028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.221028 (E_RNA) where: Base-Base interactions energy: -70.229 where: short stacking energy: -44.848 Base-Backbone interact. energy: -0.450 local terms energy: -54.542608 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -11.900 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -5.707 tors. eta vs tors. theta energy: -12.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -85.783762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.783762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.783762 (E_RNA) where: Base-Base interactions energy: -34.070 where: short stacking energy: -33.040 Base-Backbone interact. energy: -0.002 local terms energy: -51.711465 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -11.222 tors. eta vs tors. theta energy: -13.403 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: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -95.623421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.623421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.623421 (E_RNA) where: Base-Base interactions energy: -54.896 where: short stacking energy: -48.295 Base-Backbone interact. energy: -0.317 local terms energy: -40.410312 where: bonds (distance) C4'-P energy: -10.169 bonds (distance) P-C4' energy: -0.447 flat angles C4'-P-C4' energy: -9.702 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -12.824 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: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -79.765999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.765999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.765999 (E_RNA) where: Base-Base interactions energy: -32.271 where: short stacking energy: -28.201 Base-Backbone interact. energy: -0.180 local terms energy: -47.314066 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -79.641137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.641137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.641137 (E_RNA) where: Base-Base interactions energy: -35.945 where: short stacking energy: -36.145 Base-Backbone interact. energy: -0.301 local terms energy: -43.395487 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -10.446 flat angles C4'-P-C4' energy: -10.924 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -7.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -146.209179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.209179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.209179 (E_RNA) where: Base-Base interactions energy: -89.559 where: short stacking energy: -57.279 Base-Backbone interact. energy: -0.061 local terms energy: -56.588398 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -13.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -141.040573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.040573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.040573 (E_RNA) where: Base-Base interactions energy: -91.748 where: short stacking energy: -56.912 Base-Backbone interact. energy: -0.572 local terms energy: -48.721115 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -9.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -147.135146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.135146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.135146 (E_RNA) where: Base-Base interactions energy: -85.097 where: short stacking energy: -51.940 Base-Backbone interact. energy: -0.291 local terms energy: -61.746831 where: bonds (distance) C4'-P energy: -14.433 bonds (distance) P-C4' energy: -11.329 flat angles C4'-P-C4' energy: -11.275 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -14.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -134.543763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.543763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.543763 (E_RNA) where: Base-Base interactions energy: -83.321 where: short stacking energy: -54.651 Base-Backbone interact. energy: -0.106 local terms energy: -51.116755 where: bonds (distance) C4'-P energy: -8.968 bonds (distance) P-C4' energy: -13.316 flat angles C4'-P-C4' energy: -10.422 flat angles P-C4'-P energy: -7.332 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: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -126.429092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.429092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.429092 (E_RNA) where: Base-Base interactions energy: -75.826 where: short stacking energy: -48.222 Base-Backbone interact. energy: -0.034 local terms energy: -50.569755 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -101.755970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.755970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.755970 (E_RNA) where: Base-Base interactions energy: -53.593 where: short stacking energy: -48.164 Base-Backbone interact. energy: -0.062 local terms energy: -48.101339 where: bonds (distance) C4'-P energy: -10.749 bonds (distance) P-C4' energy: -5.552 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -9.202 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: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -86.159621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.159621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.159621 (E_RNA) where: Base-Base interactions energy: -46.869 where: short stacking energy: -33.368 Base-Backbone interact. energy: 0.014 local terms energy: -39.304885 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: 4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -88.867683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.867683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.867683 (E_RNA) where: Base-Base interactions energy: -42.779 where: short stacking energy: -42.232 Base-Backbone interact. energy: -0.035 local terms energy: -46.052907 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -11.059 flat angles P-C4'-P energy: -2.468 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: 68 Temperature: 1.300000 Total energy: -86.650546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.650546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.650546 (E_RNA) where: Base-Base interactions energy: -36.731 where: short stacking energy: -35.165 Base-Backbone interact. energy: -0.017 local terms energy: -49.902567 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -72.310586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.310586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.310586 (E_RNA) where: Base-Base interactions energy: -28.276 where: short stacking energy: -28.276 Base-Backbone interact. energy: -0.002 local terms energy: -44.032978 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -0.179 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: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -155.962078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.962078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.962078 (E_RNA) where: Base-Base interactions energy: -94.251 where: short stacking energy: -61.911 Base-Backbone interact. energy: -0.023 local terms energy: -61.687304 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -10.618 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -15.886 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: 6 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -153.705008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.705008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.705008 (E_RNA) where: Base-Base interactions energy: -95.889 where: short stacking energy: -56.145 Base-Backbone interact. energy: -0.938 local terms energy: -56.877651 where: bonds (distance) C4'-P energy: -11.291 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -9.732 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: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -149.808257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.808257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.808257 (E_RNA) where: Base-Base interactions energy: -90.408 where: short stacking energy: -58.670 Base-Backbone interact. energy: -0.108 local terms energy: -59.292040 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -11.615 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -137.240167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.240167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.240167 (E_RNA) where: Base-Base interactions energy: -78.496 where: short stacking energy: -50.829 Base-Backbone interact. energy: -0.006 local terms energy: -58.738255 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -9.356 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: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -147.479827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.479827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.479827 (E_RNA) where: Base-Base interactions energy: -94.832 where: short stacking energy: -61.435 Base-Backbone interact. energy: -0.272 local terms energy: -52.375676 where: bonds (distance) C4'-P energy: -7.830 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -10.855 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -13.945 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: 10 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -98.872330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.872330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.872330 (E_RNA) where: Base-Base interactions energy: -46.613 where: short stacking energy: -47.613 Base-Backbone interact. energy: -0.011 local terms energy: -52.248003 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -5.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -93.189351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.189351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.189351 (E_RNA) where: Base-Base interactions energy: -44.185 where: short stacking energy: -44.019 Base-Backbone interact. energy: -0.090 local terms energy: -48.914922 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -8.585 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -79.903017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.903017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.903017 (E_RNA) where: Base-Base interactions energy: -37.381 where: short stacking energy: -31.008 Base-Backbone interact. energy: -0.049 local terms energy: -42.473078 where: bonds (distance) C4'-P energy: -8.473 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -84.306667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.306667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.306667 (E_RNA) where: Base-Base interactions energy: -38.737 where: short stacking energy: -38.057 Base-Backbone interact. energy: -0.145 local terms energy: -45.424577 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.245 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -7.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -82.200644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.200644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.200644 (E_RNA) where: Base-Base interactions energy: -38.466 where: short stacking energy: -33.444 Base-Backbone interact. energy: -0.791 local terms energy: -42.943854 where: bonds (distance) C4'-P energy: -9.355 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -1.223 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -166.130142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.130142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.130142 (E_RNA) where: Base-Base interactions energy: -101.900 where: short stacking energy: -60.348 Base-Backbone interact. energy: -0.075 local terms energy: -64.155422 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -14.108 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: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -160.721077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.721077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.721077 (E_RNA) where: Base-Base interactions energy: -92.035 where: short stacking energy: -53.514 Base-Backbone interact. energy: -0.428 local terms energy: -68.258078 where: bonds (distance) C4'-P energy: -12.657 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -11.221 tors. eta vs tors. theta energy: -14.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -144.176380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.176380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.176380 (E_RNA) where: Base-Base interactions energy: -80.427 where: short stacking energy: -51.654 Base-Backbone interact. energy: -0.550 local terms energy: -63.198751 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -10.725 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: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -140.951445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.951445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.951445 (E_RNA) where: Base-Base interactions energy: -81.726 where: short stacking energy: -55.203 Base-Backbone interact. energy: -0.164 local terms energy: -59.061571 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -15.566 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -131.159739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.159739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.159739 (E_RNA) where: Base-Base interactions energy: -75.089 where: short stacking energy: -49.099 Base-Backbone interact. energy: 0.061 local terms energy: -56.131652 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -9.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -95.413780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.413780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.413780 (E_RNA) where: Base-Base interactions energy: -42.262 where: short stacking energy: -42.262 Base-Backbone interact. energy: -0.000 local terms energy: -53.151468 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -9.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -92.538712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.538712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.538712 (E_RNA) where: Base-Base interactions energy: -38.566 where: short stacking energy: -38.566 Base-Backbone interact. energy: -0.071 local terms energy: -53.901634 where: bonds (distance) C4'-P energy: -10.587 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -83.813340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.813340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.813340 (E_RNA) where: Base-Base interactions energy: -33.825 where: short stacking energy: -29.652 Base-Backbone interact. energy: -0.079 local terms energy: -49.908802 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -14.638 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -6.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -80.841769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.841769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.841769 (E_RNA) where: Base-Base interactions energy: -36.028 where: short stacking energy: -35.197 Base-Backbone interact. energy: -0.017 local terms energy: -44.796484 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -9.733 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: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -74.325734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.325734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.325734 (E_RNA) where: Base-Base interactions energy: -28.696 where: short stacking energy: -28.696 Base-Backbone interact. energy: -0.253 local terms energy: -45.376975 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -7.426 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: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -166.406512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.406512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.406512 (E_RNA) where: Base-Base interactions energy: -109.157 where: short stacking energy: -61.406 Base-Backbone interact. energy: -0.640 local terms energy: -56.609680 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -14.727 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: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -138.885033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.885033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.885033 (E_RNA) where: Base-Base interactions energy: -83.652 where: short stacking energy: -49.644 Base-Backbone interact. energy: -0.337 local terms energy: -54.895389 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -9.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -150.268649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.268649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.268649 (E_RNA) where: Base-Base interactions energy: -90.070 where: short stacking energy: -60.882 Base-Backbone interact. energy: -0.294 local terms energy: -59.905214 where: bonds (distance) C4'-P energy: -10.961 bonds (distance) P-C4' energy: -10.603 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -139.841649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.841649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.841649 (E_RNA) where: Base-Base interactions energy: -83.143 where: short stacking energy: -48.317 Base-Backbone interact. energy: -0.018 local terms energy: -56.681324 where: bonds (distance) C4'-P energy: -10.696 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -10.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -137.271782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.271782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.271782 (E_RNA) where: Base-Base interactions energy: -76.807 where: short stacking energy: -45.216 Base-Backbone interact. energy: -0.001 local terms energy: -60.464148 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -15.503 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -9.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -97.743988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.743988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.743988 (E_RNA) where: Base-Base interactions energy: -49.530 where: short stacking energy: -39.937 Base-Backbone interact. energy: -0.002 local terms energy: -48.211149 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -88.635513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.635513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.635513 (E_RNA) where: Base-Base interactions energy: -44.991 where: short stacking energy: -33.917 Base-Backbone interact. energy: -0.134 local terms energy: -43.510896 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -80.527434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.527434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.527434 (E_RNA) where: Base-Base interactions energy: -32.461 where: short stacking energy: -32.461 Base-Backbone interact. energy: -0.006 local terms energy: -48.060889 where: bonds (distance) C4'-P energy: -8.832 bonds (distance) P-C4' energy: -12.479 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -6.816 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: 7 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -73.145116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.145116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.145116 (E_RNA) where: Base-Base interactions energy: -30.320 where: short stacking energy: -30.845 Base-Backbone interact. energy: -0.011 local terms energy: -42.814454 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -7.555 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: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -77.108242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.108242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.108242 (E_RNA) where: Base-Base interactions energy: -36.543 where: short stacking energy: -34.694 Base-Backbone interact. energy: -0.119 local terms energy: -40.446349 where: bonds (distance) C4'-P energy: -11.005 bonds (distance) P-C4' energy: -10.934 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -152.769357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.769357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.769357 (E_RNA) where: Base-Base interactions energy: -91.352 where: short stacking energy: -53.756 Base-Backbone interact. energy: -0.096 local terms energy: -61.321512 where: bonds (distance) C4'-P energy: -14.234 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -12.659 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: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -164.092501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.092501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.092501 (E_RNA) where: Base-Base interactions energy: -104.772 where: short stacking energy: -50.400 Base-Backbone interact. energy: -0.671 local terms energy: -58.649521 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -10.347 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: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -138.850591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.850591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.850591 (E_RNA) where: Base-Base interactions energy: -83.089 where: short stacking energy: -47.592 Base-Backbone interact. energy: -0.462 local terms energy: -55.299342 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -9.783 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -129.164176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.164176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.164176 (E_RNA) where: Base-Base interactions energy: -76.479 where: short stacking energy: -44.832 Base-Backbone interact. energy: -0.397 local terms energy: -52.288129 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -14.543 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -6.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -145.416354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.416354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.416354 (E_RNA) where: Base-Base interactions energy: -90.264 where: short stacking energy: -57.745 Base-Backbone interact. energy: -0.000 local terms energy: -55.151651 where: bonds (distance) C4'-P energy: -4.651 bonds (distance) P-C4' energy: -13.960 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -11.550 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: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -100.934437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.934437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.934437 (E_RNA) where: Base-Base interactions energy: -43.555 where: short stacking energy: -44.255 Base-Backbone interact. energy: -0.001 local terms energy: -57.377939 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -10.262 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -92.044711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.044711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.044711 (E_RNA) where: Base-Base interactions energy: -35.942 where: short stacking energy: -32.956 Base-Backbone interact. energy: -0.032 local terms energy: -56.070270 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -7.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -88.209833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.209833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.209833 (E_RNA) where: Base-Base interactions energy: -37.282 where: short stacking energy: -37.282 Base-Backbone interact. energy: -0.002 local terms energy: -50.926442 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -9.000 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -94.346249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.346249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.346249 (E_RNA) where: Base-Base interactions energy: -46.584 where: short stacking energy: -34.940 Base-Backbone interact. energy: 1.526 local terms energy: -49.288346 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -66.687068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.687068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.687068 (E_RNA) where: Base-Base interactions energy: -24.221 where: short stacking energy: -25.494 Base-Backbone interact. energy: -0.104 local terms energy: -42.362389 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -153.172776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.172776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.172776 (E_RNA) where: Base-Base interactions energy: -97.397 where: short stacking energy: -57.716 Base-Backbone interact. energy: -1.091 local terms energy: -54.685194 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -11.370 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: -12.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -156.377253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.377253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.377253 (E_RNA) where: Base-Base interactions energy: -95.605 where: short stacking energy: -63.147 Base-Backbone interact. energy: -0.000 local terms energy: -60.771882 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -6.537 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: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -153.096691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.096691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.096691 (E_RNA) where: Base-Base interactions energy: -90.620 where: short stacking energy: -52.523 Base-Backbone interact. energy: -0.022 local terms energy: -62.454287 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -8.151 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -131.368066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.368066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.368066 (E_RNA) where: Base-Base interactions energy: -74.562 where: short stacking energy: -38.991 Base-Backbone interact. energy: -0.044 local terms energy: -56.762548 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -7.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -133.382325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.382325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.382325 (E_RNA) where: Base-Base interactions energy: -75.801 where: short stacking energy: -48.652 Base-Backbone interact. energy: -0.017 local terms energy: -57.564173 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -13.694 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -10.558 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: 6, replica: 10 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -87.649451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.649451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.649451 (E_RNA) where: Base-Base interactions energy: -40.863 where: short stacking energy: -31.540 Base-Backbone interact. energy: 0.736 local terms energy: -47.522762 where: bonds (distance) C4'-P energy: -8.303 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -7.113 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: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -86.890113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.890113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.890113 (E_RNA) where: Base-Base interactions energy: -30.917 where: short stacking energy: -30.917 Base-Backbone interact. energy: -0.032 local terms energy: -55.941746 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -9.897 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -85.958334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.958334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.958334 (E_RNA) where: Base-Base interactions energy: -36.282 where: short stacking energy: -36.282 Base-Backbone interact. energy: -0.017 local terms energy: -49.659328 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -77.924022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.924022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.924022 (E_RNA) where: Base-Base interactions energy: -46.423 where: short stacking energy: -40.228 Base-Backbone interact. energy: 0.060 local terms energy: -31.561175 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -7.471 flat angles C4'-P-C4' energy: -9.126 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: 1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -84.164859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.164859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.164859 (E_RNA) where: Base-Base interactions energy: -40.836 where: short stacking energy: -40.836 Base-Backbone interact. energy: 0.583 local terms energy: -43.912125 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -11.922 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -138.823917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.823917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.823917 (E_RNA) where: Base-Base interactions energy: -78.544 where: short stacking energy: -46.402 Base-Backbone interact. energy: -0.303 local terms energy: -59.977107 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -14.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -138.959926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.959926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.959926 (E_RNA) where: Base-Base interactions energy: -84.225 where: short stacking energy: -45.887 Base-Backbone interact. energy: -0.064 local terms energy: -54.671178 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -14.731 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -4.431 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: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -136.003700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.003700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.003700 (E_RNA) where: Base-Base interactions energy: -84.187 where: short stacking energy: -53.395 Base-Backbone interact. energy: -0.108 local terms energy: -51.708193 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -138.307242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.307242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.307242 (E_RNA) where: Base-Base interactions energy: -76.535 where: short stacking energy: -47.138 Base-Backbone interact. energy: -0.171 local terms energy: -61.600682 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -11.381 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: 5, replica: 10 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -93.952773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.952773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.952773 (E_RNA) where: Base-Base interactions energy: -40.924 where: short stacking energy: -40.924 Base-Backbone interact. energy: -0.084 local terms energy: -52.944163 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -135.695523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.695523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.695523 (E_RNA) where: Base-Base interactions energy: -81.739 where: short stacking energy: -50.143 Base-Backbone interact. energy: -0.061 local terms energy: -53.895269 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -11.466 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -89.578444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.578444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.578444 (E_RNA) where: Base-Base interactions energy: -37.878 where: short stacking energy: -37.962 Base-Backbone interact. energy: -0.041 local terms energy: -51.659634 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -11.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -96.240083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.240083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.240083 (E_RNA) where: Base-Base interactions energy: -58.861 where: short stacking energy: -29.099 Base-Backbone interact. energy: -0.222 local terms energy: -37.157207 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -5.335 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -75.674445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.674445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.674445 (E_RNA) where: Base-Base interactions energy: -38.680 where: short stacking energy: -29.485 Base-Backbone interact. energy: -0.209 local terms energy: -36.786246 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -7.949 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -1.929 tors. eta vs tors. theta energy: 0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -80.765787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.765787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.765787 (E_RNA) where: Base-Base interactions energy: -33.723 where: short stacking energy: -33.571 Base-Backbone interact. energy: -0.106 local terms energy: -46.937482 where: bonds (distance) C4'-P energy: -11.498 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -146.960262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.960262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.960262 (E_RNA) where: Base-Base interactions energy: -81.126 where: short stacking energy: -42.336 Base-Backbone interact. energy: 0.005 local terms energy: -65.839451 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -12.184 tors. eta vs tors. theta energy: -11.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -150.104614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.104614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.104614 (E_RNA) where: Base-Base interactions energy: -89.112 where: short stacking energy: -55.545 Base-Backbone interact. energy: -0.035 local terms energy: -60.956981 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -13.161 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -9.546 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: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -141.001766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.001766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.001766 (E_RNA) where: Base-Base interactions energy: -85.874 where: short stacking energy: -57.121 Base-Backbone interact. energy: -0.075 local terms energy: -55.052139 where: bonds (distance) C4'-P energy: -5.528 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -8.767 tors. eta vs tors. theta energy: -14.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -135.492527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.492527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.492527 (E_RNA) where: Base-Base interactions energy: -76.839 where: short stacking energy: -50.950 Base-Backbone interact. energy: -0.029 local terms energy: -58.624771 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -9.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -114.586999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.586999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.586999 (E_RNA) where: Base-Base interactions energy: -60.852 where: short stacking energy: -56.355 Base-Backbone interact. energy: -0.009 local terms energy: -53.725521 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -12.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -115.338665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.338665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.338665 (E_RNA) where: Base-Base interactions energy: -67.869 where: short stacking energy: -31.143 Base-Backbone interact. energy: 0.869 local terms energy: -48.338535 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -88.876625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.876625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.876625 (E_RNA) where: Base-Base interactions energy: -42.753 where: short stacking energy: -42.753 Base-Backbone interact. energy: 2.397 local terms energy: -48.520533 where: bonds (distance) C4'-P energy: -6.514 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -9.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -116.746383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.746383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.746383 (E_RNA) where: Base-Base interactions energy: -64.684 where: short stacking energy: -37.996 Base-Backbone interact. energy: -0.073 local terms energy: -51.989330 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -9.860 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -86.732475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.732475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.732475 (E_RNA) where: Base-Base interactions energy: -35.018 where: short stacking energy: -32.928 Base-Backbone interact. energy: -0.347 local terms energy: -51.367222 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -10.294 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -80.823179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.823179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.823179 (E_RNA) where: Base-Base interactions energy: -41.434 where: short stacking energy: -15.026 Base-Backbone interact. energy: -0.049 local terms energy: -39.340308 where: bonds (distance) C4'-P energy: -8.695 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -150.882735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.882735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.882735 (E_RNA) where: Base-Base interactions energy: -91.136 where: short stacking energy: -48.630 Base-Backbone interact. energy: -0.729 local terms energy: -59.018171 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -11.717 tors. eta vs tors. theta energy: -7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -151.425585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.425585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.425585 (E_RNA) where: Base-Base interactions energy: -94.009 where: short stacking energy: -59.379 Base-Backbone interact. energy: -0.003 local terms energy: -57.413201 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -12.224 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -14.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -130.790422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.790422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.790422 (E_RNA) where: Base-Base interactions energy: -74.886 where: short stacking energy: -49.010 Base-Backbone interact. energy: -0.039 local terms energy: -55.865003 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -9.904 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: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -130.444361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.444361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.444361 (E_RNA) where: Base-Base interactions energy: -71.596 where: short stacking energy: -41.411 Base-Backbone interact. energy: -0.184 local terms energy: -58.664280 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -11.845 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -144.550671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.550671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.550671 (E_RNA) where: Base-Base interactions energy: -85.144 where: short stacking energy: -52.451 Base-Backbone interact. energy: -0.001 local terms energy: -59.405948 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -89.819684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.819684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.819684 (E_RNA) where: Base-Base interactions energy: -40.290 where: short stacking energy: -40.290 Base-Backbone interact. energy: 0.775 local terms energy: -50.304261 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -90.625896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.625896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.625896 (E_RNA) where: Base-Base interactions energy: -45.658 where: short stacking energy: -45.658 Base-Backbone interact. energy: -0.020 local terms energy: -44.947705 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -5.013 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: 8, replica: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -86.940759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.940759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.940759 (E_RNA) where: Base-Base interactions energy: -46.716 where: short stacking energy: -24.181 Base-Backbone interact. energy: -0.140 local terms energy: -40.085294 where: bonds (distance) C4'-P energy: -7.996 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -89.276022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.276022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.276022 (E_RNA) where: Base-Base interactions energy: -43.140 where: short stacking energy: -34.758 Base-Backbone interact. energy: -0.116 local terms energy: -46.020145 where: bonds (distance) C4'-P energy: -9.490 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -5.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -65.604748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.604748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.604748 (E_RNA) where: Base-Base interactions energy: -27.257 where: short stacking energy: -27.257 Base-Backbone interact. energy: -0.090 local terms energy: -38.258232 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -160.184251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.184251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.184251 (E_RNA) where: Base-Base interactions energy: -96.807 where: short stacking energy: -60.672 Base-Backbone interact. energy: 0.036 local terms energy: -63.413390 where: bonds (distance) C4'-P energy: -9.332 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -158.368266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.368266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.368266 (E_RNA) where: Base-Base interactions energy: -95.148 where: short stacking energy: -56.128 Base-Backbone interact. energy: 0.061 local terms energy: -63.280914 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -14.269 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: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -148.629476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.629476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.629476 (E_RNA) where: Base-Base interactions energy: -87.618 where: short stacking energy: -59.999 Base-Backbone interact. energy: -0.016 local terms energy: -60.995442 where: bonds (distance) C4'-P energy: -14.529 bonds (distance) P-C4' energy: -11.907 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -12.729 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: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -136.699897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.699897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.699897 (E_RNA) where: Base-Base interactions energy: -76.848 where: short stacking energy: -40.383 Base-Backbone interact. energy: -0.279 local terms energy: -59.572859 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -11.262 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: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -126.480597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.480597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.480597 (E_RNA) where: Base-Base interactions energy: -76.793 where: short stacking energy: -49.537 Base-Backbone interact. energy: 1.039 local terms energy: -50.726351 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -10.897 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -8.578 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: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -106.031717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.031717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.031717 (E_RNA) where: Base-Base interactions energy: -51.493 where: short stacking energy: -41.055 Base-Backbone interact. energy: -0.560 local terms energy: -53.978233 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -10.449 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -6.851 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: 7, replica: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -84.161567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.161567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.161567 (E_RNA) where: Base-Base interactions energy: -43.648 where: short stacking energy: -37.867 Base-Backbone interact. energy: -0.172 local terms energy: -40.340918 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: 1.503 tors. eta vs tors. theta energy: -3.889 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: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -73.365749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.365749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.365749 (E_RNA) where: Base-Base interactions energy: -37.007 where: short stacking energy: -30.215 Base-Backbone interact. energy: -0.246 local terms energy: -36.112859 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -9.312 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: 1.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -73.768550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.768550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.768550 (E_RNA) where: Base-Base interactions energy: -31.960 where: short stacking energy: -30.050 Base-Backbone interact. energy: -0.736 local terms energy: -41.072617 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -3.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -79.375117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.375117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.375117 (E_RNA) where: Base-Base interactions energy: -38.279 where: short stacking energy: -38.279 Base-Backbone interact. energy: -0.809 local terms energy: -40.287092 where: bonds (distance) C4'-P energy: -8.624 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -3.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -165.010799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.010799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.010799 (E_RNA) where: Base-Base interactions energy: -102.021 where: short stacking energy: -56.322 Base-Backbone interact. energy: 0.255 local terms energy: -63.244151 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -14.183 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -9.017 tors. eta vs tors. theta energy: -13.161 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: 2 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -155.499987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.499987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.499987 (E_RNA) where: Base-Base interactions energy: -91.162 where: short stacking energy: -60.336 Base-Backbone interact. energy: -0.059 local terms energy: -64.279466 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -13.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -139.533721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.533721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.533721 (E_RNA) where: Base-Base interactions energy: -78.079 where: short stacking energy: -44.845 Base-Backbone interact. energy: -0.065 local terms energy: -61.389307 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -8.781 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: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -134.790186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.790186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.790186 (E_RNA) where: Base-Base interactions energy: -77.290 where: short stacking energy: -42.580 Base-Backbone interact. energy: -0.084 local terms energy: -57.416208 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -7.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -145.856617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.856617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.856617 (E_RNA) where: Base-Base interactions energy: -84.464 where: short stacking energy: -45.556 Base-Backbone interact. energy: 0.173 local terms energy: -61.565641 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -12.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -95.068030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.068030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.068030 (E_RNA) where: Base-Base interactions energy: -45.758 where: short stacking energy: -38.103 Base-Backbone interact. energy: 1.306 local terms energy: -50.616612 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -11.333 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -7.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -82.911510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.911510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.911510 (E_RNA) where: Base-Base interactions energy: -37.954 where: short stacking energy: -36.874 Base-Backbone interact. energy: -0.079 local terms energy: -44.878333 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -8.533 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -69.996032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.996032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.996032 (E_RNA) where: Base-Base interactions energy: -29.064 where: short stacking energy: -28.297 Base-Backbone interact. energy: -0.344 local terms energy: -40.588144 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -81.121840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.121840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.121840 (E_RNA) where: Base-Base interactions energy: -29.212 where: short stacking energy: -29.212 Base-Backbone interact. energy: -0.020 local terms energy: -51.890494 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -9.701 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -6.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -86.624697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.624697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.624697 (E_RNA) where: Base-Base interactions energy: -37.867 where: short stacking energy: -36.032 Base-Backbone interact. energy: -0.997 local terms energy: -47.760518 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -5.481 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -8.222 tors. eta vs tors. theta energy: -9.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -173.962455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.962455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.962455 (E_RNA) where: Base-Base interactions energy: -110.695 where: short stacking energy: -63.015 Base-Backbone interact. energy: -0.192 local terms energy: -63.075370 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -9.850 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: 2, replica: 2 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -162.741287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.741287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.741287 (E_RNA) where: Base-Base interactions energy: -98.582 where: short stacking energy: -61.993 Base-Backbone interact. energy: -0.001 local terms energy: -64.158500 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -11.812 tors. eta vs tors. theta energy: -14.358 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -146.915430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.915430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.915430 (E_RNA) where: Base-Base interactions energy: -91.166 where: short stacking energy: -58.890 Base-Backbone interact. energy: -0.601 local terms energy: -55.147685 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -9.921 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -135.001634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.001634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.001634 (E_RNA) where: Base-Base interactions energy: -79.997 where: short stacking energy: -46.804 Base-Backbone interact. energy: -0.106 local terms energy: -54.899204 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -9.867 tors. eta vs tors. theta energy: -9.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -132.293493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.293493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.293493 (E_RNA) where: Base-Base interactions energy: -73.188 where: short stacking energy: -41.770 Base-Backbone interact. energy: -0.030 local terms energy: -59.075349 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -95.416145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.416145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.416145 (E_RNA) where: Base-Base interactions energy: -44.411 where: short stacking energy: -44.411 Base-Backbone interact. energy: 0.039 local terms energy: -51.043370 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -7.962 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: 7, replica: 9 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -83.399430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.399430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.399430 (E_RNA) where: Base-Base interactions energy: -39.887 where: short stacking energy: -22.151 Base-Backbone interact. energy: -1.787 local terms energy: -41.725874 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -13.721 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -80.651967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.651967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.651967 (E_RNA) where: Base-Base interactions energy: -28.877 where: short stacking energy: -28.877 Base-Backbone interact. energy: -0.085 local terms energy: -51.689486 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -9.224 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -70.484891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.484891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.484891 (E_RNA) where: Base-Base interactions energy: -25.982 where: short stacking energy: -25.612 Base-Backbone interact. energy: -0.125 local terms energy: -44.378027 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -7.540 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: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -70.877351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.877351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.877351 (E_RNA) where: Base-Base interactions energy: -24.228 where: short stacking energy: -24.228 Base-Backbone interact. energy: -0.016 local terms energy: -46.633010 where: bonds (distance) C4'-P energy: -14.322 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -173.172506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.172506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.172506 (E_RNA) where: Base-Base interactions energy: -108.018 where: short stacking energy: -64.862 Base-Backbone interact. energy: -0.977 local terms energy: -64.176853 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -9.878 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: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -163.272449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.272449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.272449 (E_RNA) where: Base-Base interactions energy: -99.115 where: short stacking energy: -53.724 Base-Backbone interact. energy: -0.758 local terms energy: -63.398707 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -10.431 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: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -149.482884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.482884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.482884 (E_RNA) where: Base-Base interactions energy: -89.209 where: short stacking energy: -53.632 Base-Backbone interact. energy: -0.002 local terms energy: -60.271862 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -9.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -150.499032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.499032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.499032 (E_RNA) where: Base-Base interactions energy: -91.418 where: short stacking energy: -66.720 Base-Backbone interact. energy: -0.031 local terms energy: -59.049595 where: bonds (distance) C4'-P energy: -9.760 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -14.452 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -133.360358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.360358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.360358 (E_RNA) where: Base-Base interactions energy: -76.011 where: short stacking energy: -43.456 Base-Backbone interact. energy: 1.676 local terms energy: -59.025679 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -99.438991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.438991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.438991 (E_RNA) where: Base-Base interactions energy: -49.696 where: short stacking energy: -36.046 Base-Backbone interact. energy: -0.077 local terms energy: -49.666452 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -89.436298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.436298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.436298 (E_RNA) where: Base-Base interactions energy: -40.674 where: short stacking energy: -27.169 Base-Backbone interact. energy: 0.288 local terms energy: -49.050867 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -2.722 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: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -75.955621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.955621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.955621 (E_RNA) where: Base-Base interactions energy: -29.376 where: short stacking energy: -25.210 Base-Backbone interact. energy: -0.793 local terms energy: -45.786915 where: bonds (distance) C4'-P energy: -14.404 bonds (distance) P-C4' energy: -8.528 flat angles C4'-P-C4' energy: -11.393 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -87.650274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.650274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.650274 (E_RNA) where: Base-Base interactions energy: -34.592 where: short stacking energy: -34.592 Base-Backbone interact. energy: -0.004 local terms energy: -53.054255 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -11.340 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -78.986701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.986701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.986701 (E_RNA) where: Base-Base interactions energy: -29.406 where: short stacking energy: -28.736 Base-Backbone interact. energy: -0.135 local terms energy: -49.445372 where: bonds (distance) C4'-P energy: -8.365 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -9.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -163.023376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.023376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.023376 (E_RNA) where: Base-Base interactions energy: -94.709 where: short stacking energy: -59.344 Base-Backbone interact. energy: -0.001 local terms energy: -68.313365 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -162.343750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.343750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.343750 (E_RNA) where: Base-Base interactions energy: -101.156 where: short stacking energy: -62.467 Base-Backbone interact. energy: 0.022 local terms energy: -61.209989 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -10.018 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: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -147.148890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.148890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.148890 (E_RNA) where: Base-Base interactions energy: -93.439 where: short stacking energy: -50.258 Base-Backbone interact. energy: -0.283 local terms energy: -53.427303 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: -9.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -146.210194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.210194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.210194 (E_RNA) where: Base-Base interactions energy: -84.771 where: short stacking energy: -54.679 Base-Backbone interact. energy: -0.092 local terms energy: -61.347617 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -17.282 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -9.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -137.186314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.186314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.186314 (E_RNA) where: Base-Base interactions energy: -77.536 where: short stacking energy: -47.678 Base-Backbone interact. energy: -0.121 local terms energy: -59.529351 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -11.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -91.628962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.628962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.628962 (E_RNA) where: Base-Base interactions energy: -41.067 where: short stacking energy: -41.067 Base-Backbone interact. energy: -0.002 local terms energy: -50.559562 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -10.754 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: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -94.494827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.494827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.494827 (E_RNA) where: Base-Base interactions energy: -44.117 where: short stacking energy: -44.117 Base-Backbone interact. energy: -0.025 local terms energy: -50.353093 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -8.836 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: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -96.746795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.746795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.746795 (E_RNA) where: Base-Base interactions energy: -43.465 where: short stacking energy: -42.033 Base-Backbone interact. energy: -0.053 local terms energy: -53.228926 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -10.732 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -11.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -78.169746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.169746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.169746 (E_RNA) where: Base-Base interactions energy: -38.347 where: short stacking energy: -27.423 Base-Backbone interact. energy: -0.014 local terms energy: -39.809205 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: 0.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -79.401216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.401216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.401216 (E_RNA) where: Base-Base interactions energy: -37.493 where: short stacking energy: -34.624 Base-Backbone interact. energy: 0.265 local terms energy: -42.173109 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -10.236 flat angles C4'-P-C4' energy: -10.116 flat angles P-C4'-P energy: -5.338 tors. eta vs tors. theta energy: -5.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -158.070948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.070948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.070948 (E_RNA) where: Base-Base interactions energy: -92.679 where: short stacking energy: -63.064 Base-Backbone interact. energy: -0.002 local terms energy: -65.390118 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -15.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -138.105021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.105021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.105021 (E_RNA) where: Base-Base interactions energy: -81.885 where: short stacking energy: -53.244 Base-Backbone interact. energy: -0.005 local terms energy: -56.215181 where: bonds (distance) C4'-P energy: -15.497 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -10.308 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: 5 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -145.364650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.364650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.364650 (E_RNA) where: Base-Base interactions energy: -85.817 where: short stacking energy: -46.775 Base-Backbone interact. energy: -0.040 local terms energy: -59.507771 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -11.012 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -13.542 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: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -139.903944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.903944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.903944 (E_RNA) where: Base-Base interactions energy: -85.660 where: short stacking energy: -43.832 Base-Backbone interact. energy: 1.180 local terms energy: -55.424462 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -131.518930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.518930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.518930 (E_RNA) where: Base-Base interactions energy: -85.727 where: short stacking energy: -40.804 Base-Backbone interact. energy: 0.288 local terms energy: -46.079177 where: bonds (distance) C4'-P energy: -9.850 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -9.517 flat angles P-C4'-P energy: -3.187 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: 6, replica: 3 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -88.693975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.693975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.693975 (E_RNA) where: Base-Base interactions energy: -38.288 where: short stacking energy: -30.035 Base-Backbone interact. energy: -0.085 local terms energy: -50.321017 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -94.419094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.419094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.419094 (E_RNA) where: Base-Base interactions energy: -44.302 where: short stacking energy: -29.143 Base-Backbone interact. energy: 0.896 local terms energy: -51.012215 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -82.180971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.180971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.180971 (E_RNA) where: Base-Base interactions energy: -32.916 where: short stacking energy: -29.071 Base-Backbone interact. energy: -0.063 local terms energy: -49.201658 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -10.937 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -4.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -75.819862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.819862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.819862 (E_RNA) where: Base-Base interactions energy: -30.101 where: short stacking energy: -30.101 Base-Backbone interact. energy: -0.111 local terms energy: -45.607793 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -10.282 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -70.285147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.285147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.285147 (E_RNA) where: Base-Base interactions energy: -29.321 where: short stacking energy: -28.013 Base-Backbone interact. energy: -0.095 local terms energy: -40.869267 where: bonds (distance) C4'-P energy: -12.409 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -2.380 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -160.477190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.477190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.477190 (E_RNA) where: Base-Base interactions energy: -94.074 where: short stacking energy: -57.981 Base-Backbone interact. energy: -0.249 local terms energy: -66.153952 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -13.935 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -9.707 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: 2, replica: 5 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -165.580629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.580629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.580629 (E_RNA) where: Base-Base interactions energy: -95.233 where: short stacking energy: -63.746 Base-Backbone interact. energy: -0.038 local terms energy: -70.309783 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -17.303 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: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -132.139942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.139942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.139942 (E_RNA) where: Base-Base interactions energy: -78.031 where: short stacking energy: -41.944 Base-Backbone interact. energy: -0.112 local terms energy: -53.997187 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -13.657 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -141.057040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.057040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.057040 (E_RNA) where: Base-Base interactions energy: -84.873 where: short stacking energy: -50.506 Base-Backbone interact. energy: -0.010 local terms energy: -56.174445 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -138.115579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.115579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.115579 (E_RNA) where: Base-Base interactions energy: -82.151 where: short stacking energy: -47.135 Base-Backbone interact. energy: -0.169 local terms energy: -55.795358 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -10.517 tors. eta vs tors. theta energy: -8.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -93.061262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.061262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.061262 (E_RNA) where: Base-Base interactions energy: -38.111 where: short stacking energy: -38.111 Base-Backbone interact. energy: -0.002 local terms energy: -54.948331 where: bonds (distance) C4'-P energy: -7.386 bonds (distance) P-C4' energy: -15.195 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -8.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -77.792666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.792666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.792666 (E_RNA) where: Base-Base interactions energy: -39.383 where: short stacking energy: -36.669 Base-Backbone interact. energy: -0.276 local terms energy: -38.133556 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -10.287 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -80.776485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.776485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.776485 (E_RNA) where: Base-Base interactions energy: -31.104 where: short stacking energy: -27.418 Base-Backbone interact. energy: -0.156 local terms energy: -49.516639 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -72.490231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.490231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.490231 (E_RNA) where: Base-Base interactions energy: -26.754 where: short stacking energy: -22.475 Base-Backbone interact. energy: -0.079 local terms energy: -45.656831 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -9.732 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -76.788741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.788741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.788741 (E_RNA) where: Base-Base interactions energy: -44.363 where: short stacking energy: -40.729 Base-Backbone interact. energy: -0.018 local terms energy: -32.408183 where: bonds (distance) C4'-P energy: -9.856 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -1.368 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -164.628373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.628373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.628373 (E_RNA) where: Base-Base interactions energy: -97.692 where: short stacking energy: -62.916 Base-Backbone interact. energy: -0.001 local terms energy: -66.935242 where: bonds (distance) C4'-P energy: -13.796 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -8.047 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: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -169.841461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.841461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.841461 (E_RNA) where: Base-Base interactions energy: -108.903 where: short stacking energy: -69.605 Base-Backbone interact. energy: -0.003 local terms energy: -60.935627 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -11.076 flat angles P-C4'-P energy: -8.144 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: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -144.919120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.919120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.919120 (E_RNA) where: Base-Base interactions energy: -85.017 where: short stacking energy: -51.153 Base-Backbone interact. energy: -0.796 local terms energy: -59.106140 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -15.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -142.453504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.453504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.453504 (E_RNA) where: Base-Base interactions energy: -85.979 where: short stacking energy: -55.838 Base-Backbone interact. energy: -0.002 local terms energy: -56.472107 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -9.390 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -14.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -132.551543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.551543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.551543 (E_RNA) where: Base-Base interactions energy: -72.314 where: short stacking energy: -39.331 Base-Backbone interact. energy: 0.243 local terms energy: -60.480737 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -97.295906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.295906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.295906 (E_RNA) where: Base-Base interactions energy: -43.898 where: short stacking energy: -43.898 Base-Backbone interact. energy: -0.035 local terms energy: -53.362971 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -10.418 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -99.235806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.235806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.235806 (E_RNA) where: Base-Base interactions energy: -56.372 where: short stacking energy: -36.879 Base-Backbone interact. energy: 0.414 local terms energy: -43.278503 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -8.116 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -7.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -83.267595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.267595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.267595 (E_RNA) where: Base-Base interactions energy: -38.764 where: short stacking energy: -33.649 Base-Backbone interact. energy: -0.168 local terms energy: -44.335815 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -9.793 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -77.724598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.724598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.724598 (E_RNA) where: Base-Base interactions energy: -33.176 where: short stacking energy: -22.283 Base-Backbone interact. energy: 0.556 local terms energy: -45.104141 where: bonds (distance) C4'-P energy: -14.028 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -71.547616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.547616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.547616 (E_RNA) where: Base-Base interactions energy: -36.442 where: short stacking energy: -36.442 Base-Backbone interact. energy: -0.163 local terms energy: -34.942355 where: bonds (distance) C4'-P energy: -7.769 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -160.003500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.003500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.003500 (E_RNA) where: Base-Base interactions energy: -102.036 where: short stacking energy: -63.275 Base-Backbone interact. energy: -0.019 local terms energy: -57.948762 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -9.548 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: 2, replica: 2 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -167.264680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.264680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.264680 (E_RNA) where: Base-Base interactions energy: -110.765 where: short stacking energy: -64.323 Base-Backbone interact. energy: -0.004 local terms energy: -56.495986 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -12.374 flat angles P-C4'-P energy: -5.644 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: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -146.653861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.653861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.653861 (E_RNA) where: Base-Base interactions energy: -92.702 where: short stacking energy: -56.871 Base-Backbone interact. energy: -0.002 local terms energy: -53.949752 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -13.949 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: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -139.055372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.055372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.055372 (E_RNA) where: Base-Base interactions energy: -88.685 where: short stacking energy: -47.651 Base-Backbone interact. energy: -0.244 local terms energy: -50.126739 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -12.669 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -135.047683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.047683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.047683 (E_RNA) where: Base-Base interactions energy: -80.587 where: short stacking energy: -42.735 Base-Backbone interact. energy: -0.536 local terms energy: -53.925361 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -93.053008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.053008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.053008 (E_RNA) where: Base-Base interactions energy: -39.601 where: short stacking energy: -37.613 Base-Backbone interact. energy: -0.000 local terms energy: -53.451696 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -10.239 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -10.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -94.906067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.906067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.906067 (E_RNA) where: Base-Base interactions energy: -49.451 where: short stacking energy: -47.273 Base-Backbone interact. energy: -0.038 local terms energy: -45.416902 where: bonds (distance) C4'-P energy: -10.379 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -9.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -82.225187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.225187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.225187 (E_RNA) where: Base-Base interactions energy: -44.560 where: short stacking energy: -41.495 Base-Backbone interact. energy: -0.014 local terms energy: -37.651594 where: bonds (distance) C4'-P energy: -7.508 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -99.768655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.768655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.768655 (E_RNA) where: Base-Base interactions energy: -57.738 where: short stacking energy: -30.513 Base-Backbone interact. energy: -0.002 local terms energy: -42.029261 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -8.793 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -77.007347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.007347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.007347 (E_RNA) where: Base-Base interactions energy: -30.024 where: short stacking energy: -28.957 Base-Backbone interact. energy: -0.002 local terms energy: -46.981478 where: bonds (distance) C4'-P energy: -9.006 bonds (distance) P-C4' energy: -15.077 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -171.316506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.316506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.316506 (E_RNA) where: Base-Base interactions energy: -103.933 where: short stacking energy: -66.594 Base-Backbone interact. energy: -0.174 local terms energy: -67.208904 where: bonds (distance) C4'-P energy: -13.320 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -9.116 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: 2, replica: 5 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -165.594315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.594315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.594315 (E_RNA) where: Base-Base interactions energy: -97.555 where: short stacking energy: -63.651 Base-Backbone interact. energy: -0.638 local terms energy: -67.400890 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -9.604 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: 3, replica: 4 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -136.373783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.373783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.373783 (E_RNA) where: Base-Base interactions energy: -79.840 where: short stacking energy: -54.392 Base-Backbone interact. energy: -0.004 local terms energy: -56.529483 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -6.408 tors. eta vs tors. theta energy: -10.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -130.974649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.974649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.974649 (E_RNA) where: Base-Base interactions energy: -77.604 where: short stacking energy: -48.730 Base-Backbone interact. energy: -0.130 local terms energy: -53.240803 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -6.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -98.267802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.267802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.267802 (E_RNA) where: Base-Base interactions energy: -47.030 where: short stacking energy: -46.346 Base-Backbone interact. energy: -0.003 local terms energy: -51.234319 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -10.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -124.439907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.439907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.439907 (E_RNA) where: Base-Base interactions energy: -76.200 where: short stacking energy: -38.556 Base-Backbone interact. energy: -0.196 local terms energy: -48.043289 where: bonds (distance) C4'-P energy: -9.877 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -6.237 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -91.403157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.403157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.403157 (E_RNA) where: Base-Base interactions energy: -40.741 where: short stacking energy: -30.816 Base-Backbone interact. energy: -0.006 local terms energy: -50.655838 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -10.186 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -81.459097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.459097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.459097 (E_RNA) where: Base-Base interactions energy: -37.721 where: short stacking energy: -27.284 Base-Backbone interact. energy: 0.218 local terms energy: -43.955679 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -111.058081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.058081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.058081 (E_RNA) where: Base-Base interactions energy: -67.103 where: short stacking energy: -31.307 Base-Backbone interact. energy: -0.456 local terms energy: -43.499064 where: bonds (distance) C4'-P energy: -9.018 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -6.921 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -75.711932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.711932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.711932 (E_RNA) where: Base-Base interactions energy: -38.531 where: short stacking energy: -36.850 Base-Backbone interact. energy: -0.407 local terms energy: -36.774536 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -5.756 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -2.841 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: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -169.109152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.109152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.109152 (E_RNA) where: Base-Base interactions energy: -102.432 where: short stacking energy: -64.973 Base-Backbone interact. energy: -0.002 local terms energy: -66.675024 where: bonds (distance) C4'-P energy: -14.778 bonds (distance) P-C4' energy: -14.569 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -11.216 tors. eta vs tors. theta energy: -14.724 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: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -148.874788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.874788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.874788 (E_RNA) where: Base-Base interactions energy: -85.561 where: short stacking energy: -58.479 Base-Backbone interact. energy: -0.007 local terms energy: -63.307192 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -12.799 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: 3, replica: 5 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -159.232106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.232106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.232106 (E_RNA) where: Base-Base interactions energy: -97.846 where: short stacking energy: -59.109 Base-Backbone interact. energy: -0.441 local terms energy: -60.944845 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -15.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -153.682471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.682471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.682471 (E_RNA) where: Base-Base interactions energy: -95.200 where: short stacking energy: -59.690 Base-Backbone interact. energy: -0.313 local terms energy: -58.169896 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -10.415 flat angles P-C4'-P energy: -8.445 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: 5, replica: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -114.388997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.388997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.388997 (E_RNA) where: Base-Base interactions energy: -56.465 where: short stacking energy: -56.465 Base-Backbone interact. energy: -0.050 local terms energy: -57.873611 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -11.083 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: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -90.178645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.178645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.178645 (E_RNA) where: Base-Base interactions energy: -37.024 where: short stacking energy: -37.024 Base-Backbone interact. energy: -0.158 local terms energy: -52.996642 where: bonds (distance) C4'-P energy: -10.278 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -8.917 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: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -118.117879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.117879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.117879 (E_RNA) where: Base-Base interactions energy: -64.794 where: short stacking energy: -39.540 Base-Backbone interact. energy: -0.652 local terms energy: -52.672105 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -14.731 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -5.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -84.961495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.961495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.961495 (E_RNA) where: Base-Base interactions energy: -37.182 where: short stacking energy: -37.352 Base-Backbone interact. energy: -0.198 local terms energy: -47.581785 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -9.090 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -9.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -75.125525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.125525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.125525 (E_RNA) where: Base-Base interactions energy: -31.845 where: short stacking energy: -25.931 Base-Backbone interact. energy: -1.504 local terms energy: -41.776914 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -77.651483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.651483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.651483 (E_RNA) where: Base-Base interactions energy: -35.422 where: short stacking energy: -35.422 Base-Backbone interact. energy: -0.197 local terms energy: -42.031720 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -15.411 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -8.369 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -158.827317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.827317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.827317 (E_RNA) where: Base-Base interactions energy: -92.308 where: short stacking energy: -52.812 Base-Backbone interact. energy: -0.095 local terms energy: -66.424480 where: bonds (distance) C4'-P energy: -15.199 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -13.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -158.835140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.835140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.835140 (E_RNA) where: Base-Base interactions energy: -94.007 where: short stacking energy: -62.810 Base-Backbone interact. energy: -0.005 local terms energy: -64.822829 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -9.791 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: 1 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -149.164577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.164577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.164577 (E_RNA) where: Base-Base interactions energy: -86.030 where: short stacking energy: -57.878 Base-Backbone interact. energy: -0.001 local terms energy: -63.133414 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -12.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -137.948861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.948861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.948861 (E_RNA) where: Base-Base interactions energy: -79.716 where: short stacking energy: -48.447 Base-Backbone interact. energy: -0.334 local terms energy: -57.898262 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -7.604 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: 5, replica: 10 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -97.746423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.746423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.746423 (E_RNA) where: Base-Base interactions energy: -43.379 where: short stacking energy: -40.919 Base-Backbone interact. energy: 1.389 local terms energy: -55.756665 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -11.602 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -8.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -90.016622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.016622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.016622 (E_RNA) where: Base-Base interactions energy: -38.561 where: short stacking energy: -38.561 Base-Backbone interact. energy: 0.194 local terms energy: -51.648958 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -10.280 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -87.777989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.777989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.777989 (E_RNA) where: Base-Base interactions energy: -30.534 where: short stacking energy: -30.534 Base-Backbone interact. energy: -0.062 local terms energy: -57.182139 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -15.172 flat angles C4'-P-C4' energy: -11.855 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -5.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -113.452117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.452117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.452117 (E_RNA) where: Base-Base interactions energy: -70.573 where: short stacking energy: -37.613 Base-Backbone interact. energy: -0.379 local terms energy: -42.500109 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -83.321788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.321788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.321788 (E_RNA) where: Base-Base interactions energy: -38.234 where: short stacking energy: -38.234 Base-Backbone interact. energy: -0.001 local terms energy: -45.087481 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -5.894 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -9.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -75.283572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.283572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.283572 (E_RNA) where: Base-Base interactions energy: -36.607 where: short stacking energy: -35.183 Base-Backbone interact. energy: -0.172 local terms energy: -38.504463 where: bonds (distance) C4'-P energy: -6.198 bonds (distance) P-C4' energy: -8.602 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -153.536695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.536695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.536695 (E_RNA) where: Base-Base interactions energy: -95.447 where: short stacking energy: -61.076 Base-Backbone interact. energy: -0.965 local terms energy: -57.124788 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -9.105 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: 2, replica: 2 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -154.217983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.217983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.217983 (E_RNA) where: Base-Base interactions energy: -91.138 where: short stacking energy: -56.860 Base-Backbone interact. energy: -0.030 local terms energy: -63.050787 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -14.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -149.790667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.790667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.790667 (E_RNA) where: Base-Base interactions energy: -93.799 where: short stacking energy: -60.849 Base-Backbone interact. energy: -0.002 local terms energy: -55.990374 where: bonds (distance) C4'-P energy: -6.691 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -8.053 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: 4, replica: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -96.100562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.100562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.100562 (E_RNA) where: Base-Base interactions energy: -38.634 where: short stacking energy: -36.747 Base-Backbone interact. energy: -0.118 local terms energy: -57.348345 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -10.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -153.230523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.230523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.230523 (E_RNA) where: Base-Base interactions energy: -83.831 where: short stacking energy: -57.731 Base-Backbone interact. energy: -1.080 local terms energy: -68.319530 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -15.450 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: 3 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -79.963873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.963873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.963873 (E_RNA) where: Base-Base interactions energy: -41.323 where: short stacking energy: -40.635 Base-Backbone interact. energy: -0.116 local terms energy: -38.525256 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -87.740431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.740431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.740431 (E_RNA) where: Base-Base interactions energy: -35.971 where: short stacking energy: -35.971 Base-Backbone interact. energy: -0.140 local terms energy: -51.629264 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -7.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -115.797244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.797244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.797244 (E_RNA) where: Base-Base interactions energy: -68.447 where: short stacking energy: -41.910 Base-Backbone interact. energy: -0.019 local terms energy: -47.330759 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -11.130 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -77.666770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.666770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.666770 (E_RNA) where: Base-Base interactions energy: -33.220 where: short stacking energy: -24.436 Base-Backbone interact. energy: -0.799 local terms energy: -43.647271 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -75.112653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.112653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.112653 (E_RNA) where: Base-Base interactions energy: -32.421 where: short stacking energy: -31.422 Base-Backbone interact. energy: -0.310 local terms energy: -42.381966 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -9.268 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -152.017456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.017456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.017456 (E_RNA) where: Base-Base interactions energy: -88.286 where: short stacking energy: -56.793 Base-Backbone interact. energy: -0.222 local terms energy: -63.508789 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -16.075 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -15.481 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: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -150.455218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.455218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.455218 (E_RNA) where: Base-Base interactions energy: -84.592 where: short stacking energy: -55.451 Base-Backbone interact. energy: -0.075 local terms energy: -65.788293 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -13.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -139.188437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.188437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.188437 (E_RNA) where: Base-Base interactions energy: -79.070 where: short stacking energy: -47.784 Base-Backbone interact. energy: -0.006 local terms energy: -60.112346 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -15.023 flat angles P-C4'-P energy: -11.386 tors. eta vs tors. theta energy: -9.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -128.266358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.266358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.266358 (E_RNA) where: Base-Base interactions energy: -72.028 where: short stacking energy: -49.555 Base-Backbone interact. energy: -0.132 local terms energy: -56.105404 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -131.496641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.496641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.496641 (E_RNA) where: Base-Base interactions energy: -77.948 where: short stacking energy: -43.094 Base-Backbone interact. energy: -0.123 local terms energy: -53.425413 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -11.369 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -9.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -89.100080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.100080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.100080 (E_RNA) where: Base-Base interactions energy: -42.269 where: short stacking energy: -42.269 Base-Backbone interact. energy: -0.289 local terms energy: -46.541834 where: bonds (distance) C4'-P energy: -8.468 bonds (distance) P-C4' energy: -12.087 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -6.430 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: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -137.019244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.019244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.019244 (E_RNA) where: Base-Base interactions energy: -82.995 where: short stacking energy: -55.683 Base-Backbone interact. energy: -1.706 local terms energy: -52.318210 where: bonds (distance) C4'-P energy: -8.505 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -10.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -76.593879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.593879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.593879 (E_RNA) where: Base-Base interactions energy: -41.465 where: short stacking energy: -35.669 Base-Backbone interact. energy: -0.089 local terms energy: -35.039549 where: bonds (distance) C4'-P energy: -5.996 bonds (distance) P-C4' energy: -7.855 flat angles C4'-P-C4' energy: -9.966 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -85.230874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.230874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.230874 (E_RNA) where: Base-Base interactions energy: -38.154 where: short stacking energy: -36.991 Base-Backbone interact. energy: -0.254 local terms energy: -46.822295 where: bonds (distance) C4'-P energy: -10.029 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -10.318 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -6.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -68.281164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.281164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.281164 (E_RNA) where: Base-Base interactions energy: -26.868 where: short stacking energy: -26.393 Base-Backbone interact. energy: -0.210 local terms energy: -41.202538 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -10.659 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -155.655553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.655553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.655553 (E_RNA) where: Base-Base interactions energy: -97.755 where: short stacking energy: -61.750 Base-Backbone interact. energy: -0.131 local terms energy: -57.770022 where: bonds (distance) C4'-P energy: -11.868 bonds (distance) P-C4' energy: -10.362 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: -14.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -151.418919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.418919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.418919 (E_RNA) where: Base-Base interactions energy: -90.965 where: short stacking energy: -61.006 Base-Backbone interact. energy: -0.001 local terms energy: -60.453427 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -11.306 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -13.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -145.480904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.480904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.480904 (E_RNA) where: Base-Base interactions energy: -88.750 where: short stacking energy: -54.245 Base-Backbone interact. energy: -0.052 local terms energy: -56.679473 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -7.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -134.628706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.628706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.628706 (E_RNA) where: Base-Base interactions energy: -85.391 where: short stacking energy: -59.140 Base-Backbone interact. energy: -1.149 local terms energy: -48.088926 where: bonds (distance) C4'-P energy: -9.784 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -13.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -117.189106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.189106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.189106 (E_RNA) where: Base-Base interactions energy: -60.391 where: short stacking energy: -40.515 Base-Backbone interact. energy: -0.115 local terms energy: -56.682824 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -103.651989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.651989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.651989 (E_RNA) where: Base-Base interactions energy: -50.038 where: short stacking energy: -41.548 Base-Backbone interact. energy: -2.003 local terms energy: -51.611642 where: bonds (distance) C4'-P energy: -10.392 bonds (distance) P-C4' energy: -14.035 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -8.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -96.255796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.255796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.255796 (E_RNA) where: Base-Base interactions energy: -53.280 where: short stacking energy: -30.605 Base-Backbone interact. energy: -1.343 local terms energy: -41.632880 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -1.497 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -96.763997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.763997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.763997 (E_RNA) where: Base-Base interactions energy: -55.452 where: short stacking energy: -36.612 Base-Backbone interact. energy: -0.180 local terms energy: -41.132696 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -8.635 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -84.397168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.397168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.397168 (E_RNA) where: Base-Base interactions energy: -35.551 where: short stacking energy: -35.551 Base-Backbone interact. energy: 0.556 local terms energy: -49.401606 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.714 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -87.896688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.896688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.896688 (E_RNA) where: Base-Base interactions energy: -37.189 where: short stacking energy: -25.567 Base-Backbone interact. energy: -0.082 local terms energy: -50.626050 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -9.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -149.608884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.608884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.608884 (E_RNA) where: Base-Base interactions energy: -87.313 where: short stacking energy: -59.457 Base-Backbone interact. energy: -0.600 local terms energy: -61.695842 where: bonds (distance) C4'-P energy: -8.456 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -11.272 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: 92 Temperature: 0.950000 Total energy: -151.080627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.080627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.080627 (E_RNA) where: Base-Base interactions energy: -82.942 where: short stacking energy: -53.540 Base-Backbone interact. energy: -1.064 local terms energy: -67.074456 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -15.635 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: 92 Temperature: 1.000000 Total energy: -139.129124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.129124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.129124 (E_RNA) where: Base-Base interactions energy: -85.940 where: short stacking energy: -60.295 Base-Backbone interact. energy: -0.032 local terms energy: -53.157283 where: bonds (distance) C4'-P energy: -8.977 bonds (distance) P-C4' energy: -12.104 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -12.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -136.098044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.098044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.098044 (E_RNA) where: Base-Base interactions energy: -79.020 where: short stacking energy: -52.546 Base-Backbone interact. energy: -0.002 local terms energy: -57.075462 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -10.153 flat angles P-C4'-P energy: -7.301 tors. eta vs tors. theta energy: -11.844 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: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -109.215055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.215055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.215055 (E_RNA) where: Base-Base interactions energy: -46.263 where: short stacking energy: -42.630 Base-Backbone interact. energy: -0.004 local terms energy: -62.948345 where: bonds (distance) C4'-P energy: -13.675 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -10.120 tors. eta vs tors. theta energy: -10.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -110.453959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.453959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.453959 (E_RNA) where: Base-Base interactions energy: -51.342 where: short stacking energy: -51.342 Base-Backbone interact. energy: -0.065 local terms energy: -59.046900 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -12.357 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -9.079 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: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -71.754665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.754665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.754665 (E_RNA) where: Base-Base interactions energy: -36.106 where: short stacking energy: -32.898 Base-Backbone interact. energy: 1.028 local terms energy: -36.677510 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -4.081 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: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -84.564224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.564224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.564224 (E_RNA) where: Base-Base interactions energy: -31.177 where: short stacking energy: -29.387 Base-Backbone interact. energy: 1.213 local terms energy: -54.600657 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -97.391321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.391321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.391321 (E_RNA) where: Base-Base interactions energy: -45.371 where: short stacking energy: -45.371 Base-Backbone interact. energy: -0.027 local terms energy: -51.992766 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -10.382 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -11.811 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: 10, replica: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -82.790294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.790294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.790294 (E_RNA) where: Base-Base interactions energy: -39.251 where: short stacking energy: -39.052 Base-Backbone interact. energy: 0.749 local terms energy: -44.287856 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -9.256 flat angles C4'-P-C4' energy: -9.687 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -8.324 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: 1 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -150.074360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.074360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.074360 (E_RNA) where: Base-Base interactions energy: -86.670 where: short stacking energy: -53.901 Base-Backbone interact. energy: -0.905 local terms energy: -62.499100 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -11.263 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: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -149.196365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.196365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.196365 (E_RNA) where: Base-Base interactions energy: -88.190 where: short stacking energy: -56.437 Base-Backbone interact. energy: -0.500 local terms energy: -60.506971 where: bonds (distance) C4'-P energy: -11.642 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -11.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -143.609569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.609569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.609569 (E_RNA) where: Base-Base interactions energy: -81.314 where: short stacking energy: -61.281 Base-Backbone interact. energy: 0.023 local terms energy: -62.317892 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -11.871 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -11.371 tors. eta vs tors. theta energy: -12.985 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: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -137.788219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.788219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.788219 (E_RNA) where: Base-Base interactions energy: -82.205 where: short stacking energy: -48.510 Base-Backbone interact. energy: -0.018 local terms energy: -55.564488 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -9.784 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -7.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -90.598656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.598656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.598656 (E_RNA) where: Base-Base interactions energy: -45.416 where: short stacking energy: -37.850 Base-Backbone interact. energy: -0.840 local terms energy: -44.342669 where: bonds (distance) C4'-P energy: -9.479 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -1.848 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: 93 Temperature: 1.150000 Total energy: -90.591246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.591246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.591246 (E_RNA) where: Base-Base interactions energy: -42.165 where: short stacking energy: -42.165 Base-Backbone interact. energy: -0.016 local terms energy: -48.410740 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -11.811 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -95.207464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.207464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.207464 (E_RNA) where: Base-Base interactions energy: -48.884 where: short stacking energy: -48.884 Base-Backbone interact. energy: -0.018 local terms energy: -46.305132 where: bonds (distance) C4'-P energy: -9.577 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -8.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -69.153658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.153658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.153658 (E_RNA) where: Base-Base interactions energy: -28.659 where: short stacking energy: -15.508 Base-Backbone interact. energy: -0.203 local terms energy: -40.291411 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -11.705 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: 1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -80.892367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.892367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.892367 (E_RNA) where: Base-Base interactions energy: -27.448 where: short stacking energy: -22.039 Base-Backbone interact. energy: -0.017 local terms energy: -53.427001 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -74.655525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.655525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.655525 (E_RNA) where: Base-Base interactions energy: -28.092 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.046 local terms energy: -46.517931 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -162.719666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.719666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.719666 (E_RNA) where: Base-Base interactions energy: -101.090 where: short stacking energy: -60.917 Base-Backbone interact. energy: -0.028 local terms energy: -61.601688 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -17.240 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: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -149.938369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.938369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.938369 (E_RNA) where: Base-Base interactions energy: -92.461 where: short stacking energy: -51.847 Base-Backbone interact. energy: -0.005 local terms energy: -57.471646 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -9.521 tors. eta vs tors. theta energy: -10.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -129.677471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.677471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.677471 (E_RNA) where: Base-Base interactions energy: -71.904 where: short stacking energy: -40.261 Base-Backbone interact. energy: -0.207 local terms energy: -57.566053 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -13.526 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -7.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -130.113451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.113451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.113451 (E_RNA) where: Base-Base interactions energy: -75.082 where: short stacking energy: -48.800 Base-Backbone interact. energy: 1.318 local terms energy: -56.349616 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -11.369 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: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -93.295304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.295304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.295304 (E_RNA) where: Base-Base interactions energy: -44.230 where: short stacking energy: -38.106 Base-Backbone interact. energy: -0.318 local terms energy: -48.746806 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -5.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -96.019586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.019586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.019586 (E_RNA) where: Base-Base interactions energy: -45.770 where: short stacking energy: -45.770 Base-Backbone interact. energy: -0.090 local terms energy: -50.159542 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -8.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -89.540561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.540561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.540561 (E_RNA) where: Base-Base interactions energy: -38.820 where: short stacking energy: -31.661 Base-Backbone interact. energy: -0.030 local terms energy: -50.691134 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -11.020 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -5.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -86.760024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.760024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.760024 (E_RNA) where: Base-Base interactions energy: -34.680 where: short stacking energy: -34.680 Base-Backbone interact. energy: -0.096 local terms energy: -51.983827 where: bonds (distance) C4'-P energy: -9.850 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -7.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -75.843310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.843310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.843310 (E_RNA) where: Base-Base interactions energy: -31.372 where: short stacking energy: -27.248 Base-Backbone interact. energy: -0.024 local terms energy: -44.447912 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: 0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -71.545182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.545182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.545182 (E_RNA) where: Base-Base interactions energy: -30.449 where: short stacking energy: -30.449 Base-Backbone interact. energy: -0.008 local terms energy: -41.088409 where: bonds (distance) C4'-P energy: -10.123 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -9.228 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -157.522321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.522321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.522321 (E_RNA) where: Base-Base interactions energy: -95.472 where: short stacking energy: -56.244 Base-Backbone interact. energy: -0.042 local terms energy: -62.008335 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -12.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -152.849774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.849774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.849774 (E_RNA) where: Base-Base interactions energy: -92.398 where: short stacking energy: -59.672 Base-Backbone interact. energy: -0.345 local terms energy: -60.106970 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -13.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -164.807473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.807473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.807473 (E_RNA) where: Base-Base interactions energy: -101.349 where: short stacking energy: -61.648 Base-Backbone interact. energy: -0.001 local terms energy: -63.457438 where: bonds (distance) C4'-P energy: -8.995 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -18.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -144.293026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.293026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.293026 (E_RNA) where: Base-Base interactions energy: -80.937 where: short stacking energy: -54.387 Base-Backbone interact. energy: -0.004 local terms energy: -63.351838 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -12.124 flat angles P-C4'-P energy: -9.397 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: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -103.054565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.054565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.054565 (E_RNA) where: Base-Base interactions energy: -47.471 where: short stacking energy: -47.471 Base-Backbone interact. energy: -0.100 local terms energy: -55.484103 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -11.537 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -11.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -95.988971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.988971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.988971 (E_RNA) where: Base-Base interactions energy: -42.430 where: short stacking energy: -42.430 Base-Backbone interact. energy: -0.133 local terms energy: -53.425366 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -8.157 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: 7, replica: 6 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -95.587526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.587526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.587526 (E_RNA) where: Base-Base interactions energy: -47.225 where: short stacking energy: -47.225 Base-Backbone interact. energy: -0.011 local terms energy: -48.351460 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -84.618388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.618388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.618388 (E_RNA) where: Base-Base interactions energy: -39.882 where: short stacking energy: -31.514 Base-Backbone interact. energy: -0.092 local terms energy: -44.644562 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -74.494800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.494800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.494800 (E_RNA) where: Base-Base interactions energy: -28.479 where: short stacking energy: -28.479 Base-Backbone interact. energy: -0.014 local terms energy: -46.002147 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -10.797 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -72.042987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.042987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.042987 (E_RNA) where: Base-Base interactions energy: -30.828 where: short stacking energy: -30.828 Base-Backbone interact. energy: -0.009 local terms energy: -41.205195 where: bonds (distance) C4'-P energy: -9.138 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -160.017392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.017392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.017392 (E_RNA) where: Base-Base interactions energy: -99.621 where: short stacking energy: -63.935 Base-Backbone interact. energy: -0.001 local terms energy: -60.396001 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -10.808 flat angles C4'-P-C4' energy: -13.910 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -144.683950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.683950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.683950 (E_RNA) where: Base-Base interactions energy: -87.282 where: short stacking energy: -51.598 Base-Backbone interact. energy: -0.005 local terms energy: -57.397554 where: bonds (distance) C4'-P energy: -10.136 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -11.733 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: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -150.175035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.175035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.175035 (E_RNA) where: Base-Base interactions energy: -87.538 where: short stacking energy: -57.829 Base-Backbone interact. energy: -0.006 local terms energy: -62.630781 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -12.004 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: 4 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -150.311524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.311524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.311524 (E_RNA) where: Base-Base interactions energy: -92.872 where: short stacking energy: -61.621 Base-Backbone interact. energy: -0.092 local terms energy: -57.347665 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -8.291 flat angles C4'-P-C4' energy: -9.050 flat angles P-C4'-P energy: -6.596 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: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -92.898739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.898739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.898739 (E_RNA) where: Base-Base interactions energy: -41.730 where: short stacking energy: -40.087 Base-Backbone interact. energy: -1.462 local terms energy: -49.707013 where: bonds (distance) C4'-P energy: -9.597 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -8.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -84.711034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.711034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.711034 (E_RNA) where: Base-Base interactions energy: -31.382 where: short stacking energy: -31.382 Base-Backbone interact. energy: -0.710 local terms energy: -52.619414 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -110.318091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.318091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.318091 (E_RNA) where: Base-Base interactions energy: -60.797 where: short stacking energy: -44.125 Base-Backbone interact. energy: 1.311 local terms energy: -50.832268 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -7.835 tors. eta vs tors. theta energy: -5.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -83.716969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.716969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.716969 (E_RNA) where: Base-Base interactions energy: -35.705 where: short stacking energy: -34.045 Base-Backbone interact. energy: -0.045 local terms energy: -47.966530 where: bonds (distance) C4'-P energy: -7.922 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: -9.394 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: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -77.623873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.623873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.623873 (E_RNA) where: Base-Base interactions energy: -27.897 where: short stacking energy: -26.712 Base-Backbone interact. energy: -0.872 local terms energy: -48.855047 where: bonds (distance) C4'-P energy: -9.159 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -5.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -83.308297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.308297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.308297 (E_RNA) where: Base-Base interactions energy: -34.206 where: short stacking energy: -29.090 Base-Backbone interact. energy: 1.509 local terms energy: -50.611089 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -161.211367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.211367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.211367 (E_RNA) where: Base-Base interactions energy: -98.398 where: short stacking energy: -63.818 Base-Backbone interact. energy: -0.004 local terms energy: -62.809667 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -8.298 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: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -153.071948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.071948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.071948 (E_RNA) where: Base-Base interactions energy: -95.165 where: short stacking energy: -59.967 Base-Backbone interact. energy: -0.039 local terms energy: -57.867686 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -13.523 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: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -144.166326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.166326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.166326 (E_RNA) where: Base-Base interactions energy: -86.667 where: short stacking energy: -52.062 Base-Backbone interact. energy: -0.132 local terms energy: -57.368020 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -10.743 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -154.182676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.182676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.182676 (E_RNA) where: Base-Base interactions energy: -87.855 where: short stacking energy: -58.484 Base-Backbone interact. energy: -0.264 local terms energy: -66.063651 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -92.694083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.694083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.694083 (E_RNA) where: Base-Base interactions energy: -46.633 where: short stacking energy: -39.725 Base-Backbone interact. energy: -0.414 local terms energy: -45.646629 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -4.964 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: 97 Temperature: 1.150000 Total energy: -145.929423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.929423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.929423 (E_RNA) where: Base-Base interactions energy: -85.000 where: short stacking energy: -47.799 Base-Backbone interact. energy: -1.088 local terms energy: -59.841044 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -14.500 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: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -97.451066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.451066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.451066 (E_RNA) where: Base-Base interactions energy: -44.008 where: short stacking energy: -38.985 Base-Backbone interact. energy: -0.050 local terms energy: -53.393490 where: bonds (distance) C4'-P energy: -13.155 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -8.672 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: 97 Temperature: 1.250000 Total energy: -80.480076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.480076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.480076 (E_RNA) where: Base-Base interactions energy: -30.321 where: short stacking energy: -30.321 Base-Backbone interact. energy: -0.387 local terms energy: -49.772845 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -75.161950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.161950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.161950 (E_RNA) where: Base-Base interactions energy: -29.323 where: short stacking energy: -19.263 Base-Backbone interact. energy: -0.104 local terms energy: -45.734881 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -12.307 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -71.269689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.269689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.269689 (E_RNA) where: Base-Base interactions energy: -34.249 where: short stacking energy: -31.717 Base-Backbone interact. energy: -0.667 local terms energy: -36.353104 where: bonds (distance) C4'-P energy: -7.367 bonds (distance) P-C4' energy: -10.306 flat angles C4'-P-C4' energy: -10.389 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -3.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -156.994545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.994545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.994545 (E_RNA) where: Base-Base interactions energy: -95.446 where: short stacking energy: -60.406 Base-Backbone interact. energy: 0.051 local terms energy: -61.600315 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -11.127 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: 2, replica: 2 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -168.979579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.979579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.979579 (E_RNA) where: Base-Base interactions energy: -98.183 where: short stacking energy: -59.005 Base-Backbone interact. energy: -0.001 local terms energy: -70.796151 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -11.371 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: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -145.192637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.192637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.192637 (E_RNA) where: Base-Base interactions energy: -89.580 where: short stacking energy: -53.946 Base-Backbone interact. energy: -0.775 local terms energy: -54.837236 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -8.917 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: 5 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -131.633012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.633012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.633012 (E_RNA) where: Base-Base interactions energy: -76.973 where: short stacking energy: -51.521 Base-Backbone interact. energy: -0.002 local terms energy: -54.658069 where: bonds (distance) C4'-P energy: -9.984 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -7.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -137.322888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.322888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.322888 (E_RNA) where: Base-Base interactions energy: -84.613 where: short stacking energy: -52.834 Base-Backbone interact. energy: -0.269 local terms energy: -52.441170 where: bonds (distance) C4'-P energy: -10.236 bonds (distance) P-C4' energy: -10.921 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -10.736 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: 8 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -93.643837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.643837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.643837 (E_RNA) where: Base-Base interactions energy: -44.502 where: short stacking energy: -44.502 Base-Backbone interact. energy: -0.075 local terms energy: -49.067029 where: bonds (distance) C4'-P energy: -8.891 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -11.604 flat angles P-C4'-P energy: -9.454 tors. eta vs tors. theta energy: -6.886 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: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -88.751149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.751149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.751149 (E_RNA) where: Base-Base interactions energy: -38.425 where: short stacking energy: -38.425 Base-Backbone interact. energy: -0.004 local terms energy: -50.321847 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -10.177 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -10.250 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -84.979776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.979776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.979776 (E_RNA) where: Base-Base interactions energy: -35.003 where: short stacking energy: -35.003 Base-Backbone interact. energy: -0.308 local terms energy: -49.669455 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -92.654432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.654432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.654432 (E_RNA) where: Base-Base interactions energy: -40.080 where: short stacking energy: -34.453 Base-Backbone interact. energy: -0.170 local terms energy: -52.404248 where: bonds (distance) C4'-P energy: -12.036 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -11.676 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -82.959861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.959861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.959861 (E_RNA) where: Base-Base interactions energy: -41.167 where: short stacking energy: -23.512 Base-Backbone interact. energy: -0.296 local terms energy: -41.496818 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -13.223 flat angles C4'-P-C4' energy: -10.859 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -150.553271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.553271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.553271 (E_RNA) where: Base-Base interactions energy: -88.723 where: short stacking energy: -57.269 Base-Backbone interact. energy: -0.093 local terms energy: -61.736996 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -10.506 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -10.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -148.676769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.676769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.676769 (E_RNA) where: Base-Base interactions energy: -88.696 where: short stacking energy: -58.459 Base-Backbone interact. energy: 1.568 local terms energy: -61.549494 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -9.018 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: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -156.359007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.359007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.359007 (E_RNA) where: Base-Base interactions energy: -96.046 where: short stacking energy: -58.871 Base-Backbone interact. energy: -0.007 local terms energy: -60.305801 where: bonds (distance) C4'-P energy: -13.382 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -14.341 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: 99 Temperature: 1.050000 Total energy: -145.634987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.634987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.634987 (E_RNA) where: Base-Base interactions energy: -83.930 where: short stacking energy: -58.684 Base-Backbone interact. energy: -0.365 local terms energy: -61.339643 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -10.554 tors. eta vs tors. theta energy: -9.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -125.381895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.381895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.381895 (E_RNA) where: Base-Base interactions energy: -74.747 where: short stacking energy: -46.393 Base-Backbone interact. energy: -0.104 local terms energy: -50.531400 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -8.239 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: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -98.423461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.423461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.423461 (E_RNA) where: Base-Base interactions energy: -41.438 where: short stacking energy: -41.438 Base-Backbone interact. energy: -0.014 local terms energy: -56.971474 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -12.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -97.616046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.616046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.616046 (E_RNA) where: Base-Base interactions energy: -48.279 where: short stacking energy: -31.137 Base-Backbone interact. energy: -0.170 local terms energy: -49.167324 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -79.578081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.578081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.578081 (E_RNA) where: Base-Base interactions energy: -33.153 where: short stacking energy: -27.820 Base-Backbone interact. energy: -0.179 local terms energy: -46.245968 where: bonds (distance) C4'-P energy: -10.748 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: 1.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -83.205931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.205931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.205931 (E_RNA) where: Base-Base interactions energy: -34.186 where: short stacking energy: -34.186 Base-Backbone interact. energy: -0.194 local terms energy: -48.825853 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -10.582 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -8.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -73.119844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.119844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.119844 (E_RNA) where: Base-Base interactions energy: -30.116 where: short stacking energy: -25.486 Base-Backbone interact. energy: -0.277 local terms energy: -42.727360 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -2.245 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: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -168.052544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.052544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.052544 (E_RNA) where: Base-Base interactions energy: -99.726 where: short stacking energy: -69.579 Base-Backbone interact. energy: -0.005 local terms energy: -68.320967 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -8.662 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: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -151.754658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.754658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.754658 (E_RNA) where: Base-Base interactions energy: -94.663 where: short stacking energy: -58.149 Base-Backbone interact. energy: -0.011 local terms energy: -57.080539 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -6.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -139.137313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.137313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.137313 (E_RNA) where: Base-Base interactions energy: -86.903 where: short stacking energy: -52.860 Base-Backbone interact. energy: -0.076 local terms energy: -52.158442 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -7.712 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -10.979 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: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -161.452871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.452871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.452871 (E_RNA) where: Base-Base interactions energy: -102.390 where: short stacking energy: -64.385 Base-Backbone interact. energy: -0.132 local terms energy: -58.931113 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -8.955 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -9.219 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: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -105.735168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.735168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.735168 (E_RNA) where: Base-Base interactions energy: -54.973 where: short stacking energy: -45.219 Base-Backbone interact. energy: 0.098 local terms energy: -50.859603 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -11.356 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -8.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -127.521566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.521566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.521566 (E_RNA) where: Base-Base interactions energy: -77.668 where: short stacking energy: -48.562 Base-Backbone interact. energy: -0.206 local terms energy: -49.647426 where: bonds (distance) C4'-P energy: -10.298 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -6.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -102.951928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.951928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.951928 (E_RNA) where: Base-Base interactions energy: -48.140 where: short stacking energy: -32.385 Base-Backbone interact. energy: -0.114 local terms energy: -54.698364 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -80.090970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.090970 (E_RNA) where: Base-Base interactions energy: -36.540 where: short stacking energy: -36.540 Base-Backbone interact. energy: -0.152 local terms energy: -43.399328 where: bonds (distance) C4'-P energy: -5.541 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -82.082010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.082010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.082010 (E_RNA) where: Base-Base interactions energy: -40.197 where: short stacking energy: -40.197 Base-Backbone interact. energy: 1.656 local terms energy: -43.540882 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -9.026 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -8.123 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: 10, replica: 3 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -78.466509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.466509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.466509 (E_RNA) where: Base-Base interactions energy: -35.773 where: short stacking energy: -31.065 Base-Backbone interact. energy: -0.067 local terms energy: -42.626475 where: bonds (distance) C4'-P energy: -7.858 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -4.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -159.060625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.060625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.060625 (E_RNA) where: Base-Base interactions energy: -98.136 where: short stacking energy: -58.479 Base-Backbone interact. energy: -0.007 local terms energy: -60.918387 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -13.499 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -16.800 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: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -157.730532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.730532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.730532 (E_RNA) where: Base-Base interactions energy: -95.076 where: short stacking energy: -60.187 Base-Backbone interact. energy: -0.002 local terms energy: -62.653456 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -16.560 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -14.248 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: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -151.054911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.054911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.054911 (E_RNA) where: Base-Base interactions energy: -97.869 where: short stacking energy: -55.277 Base-Backbone interact. energy: -0.162 local terms energy: -53.024312 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -13.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -147.004882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.004882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.004882 (E_RNA) where: Base-Base interactions energy: -87.267 where: short stacking energy: -53.742 Base-Backbone interact. energy: -0.409 local terms energy: -59.328827 where: bonds (distance) C4'-P energy: -9.922 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -14.767 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -13.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -107.726885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.726885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.726885 (E_RNA) where: Base-Base interactions energy: -59.025 where: short stacking energy: -34.413 Base-Backbone interact. energy: -0.103 local terms energy: -48.598983 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -125.994591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.994591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.994591 (E_RNA) where: Base-Base interactions energy: -77.713 where: short stacking energy: -42.445 Base-Backbone interact. energy: -0.194 local terms energy: -48.087665 where: bonds (distance) C4'-P energy: -5.938 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -9.256 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -9.817 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: 101 Temperature: 1.200000 Total energy: -95.921396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.921396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.921396 (E_RNA) where: Base-Base interactions energy: -44.465 where: short stacking energy: -39.264 Base-Backbone interact. energy: -0.367 local terms energy: -51.089282 where: bonds (distance) C4'-P energy: -11.183 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -84.233060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.233060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.233060 (E_RNA) where: Base-Base interactions energy: -29.208 where: short stacking energy: -28.028 Base-Backbone interact. energy: -0.130 local terms energy: -54.895571 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -84.120890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.120890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.120890 (E_RNA) where: Base-Base interactions energy: -36.855 where: short stacking energy: -36.832 Base-Backbone interact. energy: 0.963 local terms energy: -48.229390 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -4.867 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -88.623515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.623515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.623515 (E_RNA) where: Base-Base interactions energy: -42.734 where: short stacking energy: -28.389 Base-Backbone interact. energy: 1.155 local terms energy: -47.044594 where: bonds (distance) C4'-P energy: -10.736 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -9.079 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -7.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -156.707900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.707900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.707900 (E_RNA) where: Base-Base interactions energy: -90.802 where: short stacking energy: -60.155 Base-Backbone interact. energy: 2.200 local terms energy: -68.105740 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -11.049 tors. eta vs tors. theta energy: -13.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -154.822507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.822507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.822507 (E_RNA) where: Base-Base interactions energy: -91.335 where: short stacking energy: -62.462 Base-Backbone interact. energy: -0.035 local terms energy: -63.452791 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -10.778 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: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -142.726919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.726919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.726919 (E_RNA) where: Base-Base interactions energy: -83.304 where: short stacking energy: -48.307 Base-Backbone interact. energy: -0.530 local terms energy: -58.893655 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -145.761983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.761983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.761983 (E_RNA) where: Base-Base interactions energy: -91.433 where: short stacking energy: -56.688 Base-Backbone interact. energy: -0.080 local terms energy: -54.249772 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: -7.440 tors. eta vs tors. theta energy: -12.614 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: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -132.592553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.592553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.592553 (E_RNA) where: Base-Base interactions energy: -79.388 where: short stacking energy: -51.249 Base-Backbone interact. energy: -0.346 local terms energy: -52.858752 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -10.134 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -8.436 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: 6, replica: 8 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -99.175525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.175525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.175525 (E_RNA) where: Base-Base interactions energy: -46.540 where: short stacking energy: -36.296 Base-Backbone interact. energy: -0.084 local terms energy: -52.551790 where: bonds (distance) C4'-P energy: -11.987 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -91.490197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.490197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.490197 (E_RNA) where: Base-Base interactions energy: -42.335 where: short stacking energy: -37.906 Base-Backbone interact. energy: -0.024 local terms energy: -49.131897 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -76.383934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.383934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.383934 (E_RNA) where: Base-Base interactions energy: -33.848 where: short stacking energy: -33.470 Base-Backbone interact. energy: -0.172 local terms energy: -42.364227 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -10.212 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -96.732923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.732923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.732923 (E_RNA) where: Base-Base interactions energy: -47.230 where: short stacking energy: -32.312 Base-Backbone interact. energy: 2.828 local terms energy: -52.331326 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -7.981 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: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -83.954544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.954544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.954544 (E_RNA) where: Base-Base interactions energy: -32.515 where: short stacking energy: -32.515 Base-Backbone interact. energy: 0.280 local terms energy: -51.719365 where: bonds (distance) C4'-P energy: -11.122 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -11.029 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -153.700161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.700161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.700161 (E_RNA) where: Base-Base interactions energy: -89.784 where: short stacking energy: -55.319 Base-Backbone interact. energy: -0.042 local terms energy: -63.874253 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -9.214 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: 2, replica: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -159.416787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.416787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.416787 (E_RNA) where: Base-Base interactions energy: -94.955 where: short stacking energy: -57.731 Base-Backbone interact. energy: -0.011 local terms energy: -64.450854 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -14.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -145.111476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.111476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.111476 (E_RNA) where: Base-Base interactions energy: -89.020 where: short stacking energy: -55.777 Base-Backbone interact. energy: -0.001 local terms energy: -56.090264 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -13.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -137.459825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.459825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.459825 (E_RNA) where: Base-Base interactions energy: -78.900 where: short stacking energy: -44.310 Base-Backbone interact. energy: -0.059 local terms energy: -58.500344 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -8.584 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: 103 Temperature: 1.100000 Total energy: -131.757718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.757718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.757718 (E_RNA) where: Base-Base interactions energy: -77.396 where: short stacking energy: -50.543 Base-Backbone interact. energy: -0.773 local terms energy: -53.588951 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -11.188 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -12.307 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: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -96.527578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.527578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.527578 (E_RNA) where: Base-Base interactions energy: -48.895 where: short stacking energy: -40.434 Base-Backbone interact. energy: -0.343 local terms energy: -47.288766 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -11.385 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -88.094823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.094823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.094823 (E_RNA) where: Base-Base interactions energy: -37.091 where: short stacking energy: -37.091 Base-Backbone interact. energy: -0.084 local terms energy: -50.918993 where: bonds (distance) C4'-P energy: -8.096 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -7.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -77.370252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.370252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.370252 (E_RNA) where: Base-Base interactions energy: -35.150 where: short stacking energy: -35.150 Base-Backbone interact. energy: -0.044 local terms energy: -42.176632 where: bonds (distance) C4'-P energy: -8.460 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -88.010789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.010789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.010789 (E_RNA) where: Base-Base interactions energy: -39.059 where: short stacking energy: -38.699 Base-Backbone interact. energy: -0.448 local terms energy: -48.503617 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -11.749 flat angles C4'-P-C4' energy: -11.318 flat angles P-C4'-P energy: -6.587 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: 10, replica: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -74.607681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.607681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.607681 (E_RNA) where: Base-Base interactions energy: -30.263 where: short stacking energy: -30.263 Base-Backbone interact. energy: -0.123 local terms energy: -44.221308 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -1.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -155.853231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.853231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.853231 (E_RNA) where: Base-Base interactions energy: -90.308 where: short stacking energy: -55.744 Base-Backbone interact. energy: 1.247 local terms energy: -66.791713 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -14.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -143.988464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.988464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.988464 (E_RNA) where: Base-Base interactions energy: -87.635 where: short stacking energy: -52.582 Base-Backbone interact. energy: -0.103 local terms energy: -56.251261 where: bonds (distance) C4'-P energy: -7.064 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -11.808 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: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -151.063401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.063401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.063401 (E_RNA) where: Base-Base interactions energy: -92.621 where: short stacking energy: -56.764 Base-Backbone interact. energy: -0.007 local terms energy: -58.435161 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -15.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -128.848401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.848401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.848401 (E_RNA) where: Base-Base interactions energy: -77.578 where: short stacking energy: -50.034 Base-Backbone interact. energy: -0.034 local terms energy: -51.236332 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -9.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -108.930097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.930097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.930097 (E_RNA) where: Base-Base interactions energy: -49.251 where: short stacking energy: -49.251 Base-Backbone interact. energy: -0.105 local terms energy: -59.574424 where: bonds (distance) C4'-P energy: -15.072 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -13.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -132.265492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.265492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.265492 (E_RNA) where: Base-Base interactions energy: -81.124 where: short stacking energy: -49.471 Base-Backbone interact. energy: -0.100 local terms energy: -51.041493 where: bonds (distance) C4'-P energy: -9.626 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -7.207 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: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -92.399903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.399903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.399903 (E_RNA) where: Base-Base interactions energy: -41.612 where: short stacking energy: -39.246 Base-Backbone interact. energy: -0.051 local terms energy: -50.736934 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -5.240 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: 8 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -70.329208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.329208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.329208 (E_RNA) where: Base-Base interactions energy: -31.766 where: short stacking energy: -28.223 Base-Backbone interact. energy: -0.350 local terms energy: -38.214009 where: bonds (distance) C4'-P energy: -9.983 bonds (distance) P-C4' energy: -13.523 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: 0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -84.290497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.290497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.290497 (E_RNA) where: Base-Base interactions energy: -35.594 where: short stacking energy: -32.597 Base-Backbone interact. energy: 2.418 local terms energy: -51.114612 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -11.042 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -79.743340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.743340 (E_RNA) where: Base-Base interactions energy: -36.425 where: short stacking energy: -36.425 Base-Backbone interact. energy: -0.240 local terms energy: -43.078550 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -152.551697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.551697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.551697 (E_RNA) where: Base-Base interactions energy: -91.096 where: short stacking energy: -55.897 Base-Backbone interact. energy: -0.045 local terms energy: -61.410265 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -162.924726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.924726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.924726 (E_RNA) where: Base-Base interactions energy: -92.452 where: short stacking energy: -58.249 Base-Backbone interact. energy: -0.004 local terms energy: -70.468369 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -13.151 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -16.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -158.110882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.110882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.110882 (E_RNA) where: Base-Base interactions energy: -95.690 where: short stacking energy: -64.923 Base-Backbone interact. energy: -0.364 local terms energy: -62.056974 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -8.918 tors. eta vs tors. theta energy: -14.045 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: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -123.841542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.841542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.841542 (E_RNA) where: Base-Base interactions energy: -68.643 where: short stacking energy: -48.126 Base-Backbone interact. energy: -0.001 local terms energy: -55.197474 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -10.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -113.664201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.664201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.664201 (E_RNA) where: Base-Base interactions energy: -56.546 where: short stacking energy: -47.848 Base-Backbone interact. energy: 0.404 local terms energy: -57.522378 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -11.111 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: 3 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -98.947749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.947749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.947749 (E_RNA) where: Base-Base interactions energy: -48.524 where: short stacking energy: -41.153 Base-Backbone interact. energy: -0.483 local terms energy: -49.941055 where: bonds (distance) C4'-P energy: -10.898 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -9.780 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -119.878554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.878554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.878554 (E_RNA) where: Base-Base interactions energy: -72.204 where: short stacking energy: -40.696 Base-Backbone interact. energy: -0.064 local terms energy: -47.611110 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -9.741 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -7.289 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: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -79.231025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.231025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.231025 (E_RNA) where: Base-Base interactions energy: -39.358 where: short stacking energy: -22.520 Base-Backbone interact. energy: -0.054 local terms energy: -39.818442 where: bonds (distance) C4'-P energy: -6.770 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -71.170822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.170822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.170822 (E_RNA) where: Base-Base interactions energy: -22.101 where: short stacking energy: -22.101 Base-Backbone interact. energy: -0.193 local terms energy: -48.876908 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -7.207 tors. eta vs tors. theta energy: -8.543 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: 10, replica: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -74.322585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.322585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.322585 (E_RNA) where: Base-Base interactions energy: -26.109 where: short stacking energy: -21.823 Base-Backbone interact. energy: -0.660 local terms energy: -47.553646 where: bonds (distance) C4'-P energy: -14.591 bonds (distance) P-C4' energy: -10.192 flat angles C4'-P-C4' energy: -10.433 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -3.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -165.403389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.403389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.403389 (E_RNA) where: Base-Base interactions energy: -98.483 where: short stacking energy: -63.840 Base-Backbone interact. energy: -0.077 local terms energy: -66.843327 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -8.127 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: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -149.682636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.682636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.682636 (E_RNA) where: Base-Base interactions energy: -88.870 where: short stacking energy: -48.032 Base-Backbone interact. energy: -0.092 local terms energy: -60.721004 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -10.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -148.519753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.519753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.519753 (E_RNA) where: Base-Base interactions energy: -87.207 where: short stacking energy: -57.350 Base-Backbone interact. energy: -0.017 local terms energy: -61.294885 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -10.714 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: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -137.209065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.209065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.209065 (E_RNA) where: Base-Base interactions energy: -84.222 where: short stacking energy: -51.446 Base-Backbone interact. energy: -0.123 local terms energy: -52.863783 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -11.488 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: 106 Temperature: 1.100000 Total energy: -118.170017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.170017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.170017 (E_RNA) where: Base-Base interactions energy: -68.719 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.002 local terms energy: -49.449194 where: bonds (distance) C4'-P energy: -7.475 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -10.815 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: 106 Temperature: 1.150000 Total energy: -94.856015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.856015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.856015 (E_RNA) where: Base-Base interactions energy: -52.046 where: short stacking energy: -30.415 Base-Backbone interact. energy: -0.082 local terms energy: -42.728006 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -110.904372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.904372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.904372 (E_RNA) where: Base-Base interactions energy: -63.240 where: short stacking energy: -32.482 Base-Backbone interact. energy: -0.107 local terms energy: -47.558066 where: bonds (distance) C4'-P energy: -9.523 bonds (distance) P-C4' energy: -11.664 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -73.420175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.420175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.420175 (E_RNA) where: Base-Base interactions energy: -28.190 where: short stacking energy: -28.190 Base-Backbone interact. energy: -0.028 local terms energy: -45.202701 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -9.667 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -88.060603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.060603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.060603 (E_RNA) where: Base-Base interactions energy: -39.019 where: short stacking energy: -39.019 Base-Backbone interact. energy: -0.269 local terms energy: -48.772435 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -8.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -79.675660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.675660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.675660 (E_RNA) where: Base-Base interactions energy: -31.786 where: short stacking energy: -29.037 Base-Backbone interact. energy: -0.012 local terms energy: -47.877941 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -166.872428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.872428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.872428 (E_RNA) where: Base-Base interactions energy: -102.753 where: short stacking energy: -72.669 Base-Backbone interact. energy: -0.001 local terms energy: -64.118346 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -12.987 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -156.813631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.813631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.813631 (E_RNA) where: Base-Base interactions energy: -90.849 where: short stacking energy: -59.771 Base-Backbone interact. energy: -0.001 local terms energy: -65.963239 where: bonds (distance) C4'-P energy: -14.041 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -15.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -146.932561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.932561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.932561 (E_RNA) where: Base-Base interactions energy: -90.378 where: short stacking energy: -52.268 Base-Backbone interact. energy: -0.023 local terms energy: -56.531415 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -14.428 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -5.425 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: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -147.216168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.216168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.216168 (E_RNA) where: Base-Base interactions energy: -87.728 where: short stacking energy: -56.936 Base-Backbone interact. energy: -0.101 local terms energy: -59.386675 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -13.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -95.555308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.555308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.555308 (E_RNA) where: Base-Base interactions energy: -47.677 where: short stacking energy: -45.296 Base-Backbone interact. energy: -0.210 local terms energy: -47.667662 where: bonds (distance) C4'-P energy: -9.249 bonds (distance) P-C4' energy: -13.415 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -124.986643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.986643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.986643 (E_RNA) where: Base-Base interactions energy: -74.723 where: short stacking energy: -47.417 Base-Backbone interact. energy: -0.459 local terms energy: -49.804008 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -9.584 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -9.860 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: 107 Temperature: 1.200000 Total energy: -100.688846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.688846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.688846 (E_RNA) where: Base-Base interactions energy: -49.976 where: short stacking energy: -49.976 Base-Backbone interact. energy: -0.007 local terms energy: -50.705958 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -11.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -77.151632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.151632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.151632 (E_RNA) where: Base-Base interactions energy: -30.330 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.184 local terms energy: -46.637194 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -10.349 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -3.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -80.015720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.015720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.015720 (E_RNA) where: Base-Base interactions energy: -37.470 where: short stacking energy: -34.442 Base-Backbone interact. energy: -0.125 local terms energy: -42.420862 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -10.938 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -10.343 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: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -70.076747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.076747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.076747 (E_RNA) where: Base-Base interactions energy: -31.842 where: short stacking energy: -21.392 Base-Backbone interact. energy: -0.232 local terms energy: -38.002810 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -8.828 flat angles C4'-P-C4' energy: -11.024 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: 4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -144.069723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.069723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.069723 (E_RNA) where: Base-Base interactions energy: -85.497 where: short stacking energy: -54.640 Base-Backbone interact. energy: 0.031 local terms energy: -58.603162 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -9.042 tors. eta vs tors. theta energy: -10.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -141.577148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.577148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.577148 (E_RNA) where: Base-Base interactions energy: -82.703 where: short stacking energy: -56.276 Base-Backbone interact. energy: -0.716 local terms energy: -58.158368 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -13.283 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -13.679 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: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -144.083981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.083981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.083981 (E_RNA) where: Base-Base interactions energy: -87.346 where: short stacking energy: -50.429 Base-Backbone interact. energy: -0.053 local terms energy: -56.685154 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -11.780 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -10.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -135.773713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.773713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.773713 (E_RNA) where: Base-Base interactions energy: -80.070 where: short stacking energy: -48.775 Base-Backbone interact. energy: -0.043 local terms energy: -55.661154 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -13.197 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: 5, replica: 5 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -138.792389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.792389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.792389 (E_RNA) where: Base-Base interactions energy: -84.817 where: short stacking energy: -55.281 Base-Backbone interact. energy: 0.205 local terms energy: -54.181079 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -10.800 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -12.478 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: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -85.528049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.528049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.528049 (E_RNA) where: Base-Base interactions energy: -39.473 where: short stacking energy: -38.115 Base-Backbone interact. energy: -0.003 local terms energy: -46.051958 where: bonds (distance) C4'-P energy: -9.233 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -11.047 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -82.313842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.313842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.313842 (E_RNA) where: Base-Base interactions energy: -38.517 where: short stacking energy: -24.211 Base-Backbone interact. energy: -0.147 local terms energy: -43.649979 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: 5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -97.342877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.342877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.342877 (E_RNA) where: Base-Base interactions energy: -39.966 where: short stacking energy: -39.966 Base-Backbone interact. energy: -0.064 local terms energy: -57.313865 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -12.836 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -8.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -90.888104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.888104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.888104 (E_RNA) where: Base-Base interactions energy: -40.172 where: short stacking energy: -39.460 Base-Backbone interact. energy: -0.020 local terms energy: -50.696279 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -74.532318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.532318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.532318 (E_RNA) where: Base-Base interactions energy: -27.976 where: short stacking energy: -27.976 Base-Backbone interact. energy: 0.531 local terms energy: -47.087661 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -152.296175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.296175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.296175 (E_RNA) where: Base-Base interactions energy: -90.497 where: short stacking energy: -61.466 Base-Backbone interact. energy: -0.070 local terms energy: -61.728977 where: bonds (distance) C4'-P energy: -15.605 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -12.917 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -12.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -154.764722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.764722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.764722 (E_RNA) where: Base-Base interactions energy: -94.080 where: short stacking energy: -51.281 Base-Backbone interact. energy: -0.003 local terms energy: -60.681635 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -151.691911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.691911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.691911 (E_RNA) where: Base-Base interactions energy: -86.317 where: short stacking energy: -54.778 Base-Backbone interact. energy: -0.041 local terms energy: -65.334213 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -10.431 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: 4, replica: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -136.558579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.558579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.558579 (E_RNA) where: Base-Base interactions energy: -78.359 where: short stacking energy: -48.141 Base-Backbone interact. energy: -0.152 local terms energy: -58.046886 where: bonds (distance) C4'-P energy: -12.380 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -10.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -132.483253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.483253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.483253 (E_RNA) where: Base-Base interactions energy: -75.568 where: short stacking energy: -49.056 Base-Backbone interact. energy: 1.210 local terms energy: -58.125129 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -9.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -120.070343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.070343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.070343 (E_RNA) where: Base-Base interactions energy: -69.695 where: short stacking energy: -32.366 Base-Backbone interact. energy: -0.440 local terms energy: -49.935162 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -95.475163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.475163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.475163 (E_RNA) where: Base-Base interactions energy: -47.590 where: short stacking energy: -42.747 Base-Backbone interact. energy: -0.237 local terms energy: -47.648474 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -9.421 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -9.832 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: 8, replica: 8 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -81.634649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.634649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.634649 (E_RNA) where: Base-Base interactions energy: -37.837 where: short stacking energy: -33.797 Base-Backbone interact. energy: -0.124 local terms energy: -43.674252 where: bonds (distance) C4'-P energy: -5.719 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -77.109200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.109200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.109200 (E_RNA) where: Base-Base interactions energy: -37.963 where: short stacking energy: -28.896 Base-Backbone interact. energy: -0.149 local terms energy: -38.997031 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -8.556 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -84.789782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.789782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.789782 (E_RNA) where: Base-Base interactions energy: -38.068 where: short stacking energy: -35.762 Base-Backbone interact. energy: -0.034 local terms energy: -46.688510 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -7.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -166.907837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.907837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.907837 (E_RNA) where: Base-Base interactions energy: -101.823 where: short stacking energy: -58.399 Base-Backbone interact. energy: 1.255 local terms energy: -66.339658 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -11.063 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -16.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -156.983255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.983255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.983255 (E_RNA) where: Base-Base interactions energy: -94.284 where: short stacking energy: -60.583 Base-Backbone interact. energy: -0.006 local terms energy: -62.692740 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -137.177961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.177961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.177961 (E_RNA) where: Base-Base interactions energy: -80.996 where: short stacking energy: -52.057 Base-Backbone interact. energy: -0.478 local terms energy: -55.703164 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -6.700 tors. eta vs tors. theta energy: -11.458 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: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -138.391125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.391125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.391125 (E_RNA) where: Base-Base interactions energy: -76.652 where: short stacking energy: -49.715 Base-Backbone interact. energy: -0.008 local terms energy: -61.731500 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -11.203 tors. eta vs tors. theta energy: -10.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -128.910092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.910092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.910092 (E_RNA) where: Base-Base interactions energy: -74.850 where: short stacking energy: -46.052 Base-Backbone interact. energy: -0.562 local terms energy: -53.498369 where: bonds (distance) C4'-P energy: -11.230 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: -7.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -98.928985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.928985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.928985 (E_RNA) where: Base-Base interactions energy: -50.363 where: short stacking energy: -43.905 Base-Backbone interact. energy: -0.287 local terms energy: -48.278955 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -14.887 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -86.165347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.165347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.165347 (E_RNA) where: Base-Base interactions energy: -40.007 where: short stacking energy: -40.007 Base-Backbone interact. energy: -0.110 local terms energy: -46.048532 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -9.856 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -7.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -87.996309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.996309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.996309 (E_RNA) where: Base-Base interactions energy: -34.289 where: short stacking energy: -29.858 Base-Backbone interact. energy: -0.619 local terms energy: -53.088352 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -10.863 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -81.119377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.119377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.119377 (E_RNA) where: Base-Base interactions energy: -46.267 where: short stacking energy: -43.289 Base-Backbone interact. energy: -0.103 local terms energy: -34.749677 where: bonds (distance) C4'-P energy: -9.587 bonds (distance) P-C4' energy: -8.024 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -81.133360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.133360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.133360 (E_RNA) where: Base-Base interactions energy: -34.520 where: short stacking energy: -33.997 Base-Backbone interact. energy: -0.116 local terms energy: -46.497236 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -11.502 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -6.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -164.373641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.373641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.373641 (E_RNA) where: Base-Base interactions energy: -95.716 where: short stacking energy: -56.575 Base-Backbone interact. energy: -0.321 local terms energy: -68.336937 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -17.537 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: 2 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -143.769606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.769606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.769606 (E_RNA) where: Base-Base interactions energy: -79.389 where: short stacking energy: -46.242 Base-Backbone interact. energy: -0.170 local terms energy: -64.210431 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -13.728 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -12.254 tors. eta vs tors. theta energy: -9.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -156.669483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.669483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.669483 (E_RNA) where: Base-Base interactions energy: -100.574 where: short stacking energy: -54.778 Base-Backbone interact. energy: -0.002 local terms energy: -56.094114 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -11.166 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -15.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -141.754709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.754709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.754709 (E_RNA) where: Base-Base interactions energy: -86.259 where: short stacking energy: -51.920 Base-Backbone interact. energy: -0.002 local terms energy: -55.493001 where: bonds (distance) C4'-P energy: -12.785 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -13.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -119.724221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.724221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.724221 (E_RNA) where: Base-Base interactions energy: -71.827 where: short stacking energy: -38.243 Base-Backbone interact. energy: -0.061 local terms energy: -47.836326 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -9.475 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -90.637162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.637162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.637162 (E_RNA) where: Base-Base interactions energy: -42.207 where: short stacking energy: -42.207 Base-Backbone interact. energy: -0.083 local terms energy: -48.346928 where: bonds (distance) C4'-P energy: -10.722 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -10.271 flat angles P-C4'-P energy: -6.267 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -92.883219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.883219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.883219 (E_RNA) where: Base-Base interactions energy: -47.805 where: short stacking energy: -47.679 Base-Backbone interact. energy: -0.072 local terms energy: -45.005897 where: bonds (distance) C4'-P energy: -3.512 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -10.087 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -7.484 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: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -82.284819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.284819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.284819 (E_RNA) where: Base-Base interactions energy: -40.639 where: short stacking energy: -38.652 Base-Backbone interact. energy: 0.004 local terms energy: -41.649813 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -79.314837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.314837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.314837 (E_RNA) where: Base-Base interactions energy: -35.957 where: short stacking energy: -35.957 Base-Backbone interact. energy: -0.058 local terms energy: -43.300066 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -76.407337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.407337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.407337 (E_RNA) where: Base-Base interactions energy: -36.345 where: short stacking energy: -28.332 Base-Backbone interact. energy: -0.305 local terms energy: -39.757532 where: bonds (distance) C4'-P energy: -8.479 bonds (distance) P-C4' energy: -10.692 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -2.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -153.493727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.493727 (E_RNA) where: Base-Base interactions energy: -95.273 where: short stacking energy: -61.093 Base-Backbone interact. energy: -0.050 local terms energy: -58.170810 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -14.105 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: 2, replica: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -167.452624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.452624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.452624 (E_RNA) where: Base-Base interactions energy: -102.588 where: short stacking energy: -65.828 Base-Backbone interact. energy: -0.001 local terms energy: -64.864271 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -146.984803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.984803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.984803 (E_RNA) where: Base-Base interactions energy: -83.841 where: short stacking energy: -53.024 Base-Backbone interact. energy: -0.756 local terms energy: -62.388238 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -11.859 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: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -139.284644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.284644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.284644 (E_RNA) where: Base-Base interactions energy: -88.069 where: short stacking energy: -51.531 Base-Backbone interact. energy: -0.103 local terms energy: -51.112687 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -9.416 flat angles P-C4'-P energy: -7.466 tors. eta vs tors. theta energy: -11.307 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: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -109.384118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.384118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.384118 (E_RNA) where: Base-Base interactions energy: -49.286 where: short stacking energy: -45.340 Base-Backbone interact. energy: -1.493 local terms energy: -58.605275 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -10.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -88.383520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.383520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.383520 (E_RNA) where: Base-Base interactions energy: -42.519 where: short stacking energy: -28.064 Base-Backbone interact. energy: 1.826 local terms energy: -47.690256 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -10.378 flat angles P-C4'-P energy: -10.069 tors. eta vs tors. theta energy: -3.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -90.644115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.644115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.644115 (E_RNA) where: Base-Base interactions energy: -39.985 where: short stacking energy: -39.985 Base-Backbone interact. energy: -0.093 local terms energy: -50.566693 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -11.652 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -6.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -93.039390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.039390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.039390 (E_RNA) where: Base-Base interactions energy: -52.148 where: short stacking energy: -37.867 Base-Backbone interact. energy: -0.070 local terms energy: -40.821533 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -8.240 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -85.763696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.763696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.763696 (E_RNA) where: Base-Base interactions energy: -40.646 where: short stacking energy: -39.441 Base-Backbone interact. energy: -0.004 local terms energy: -45.113495 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -10.987 flat angles P-C4'-P energy: 2.572 tors. eta vs tors. theta energy: -9.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -70.345824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.345824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.345824 (E_RNA) where: Base-Base interactions energy: -26.261 where: short stacking energy: -23.976 Base-Backbone interact. energy: 0.542 local terms energy: -44.626405 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -178.735355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.735355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.735355 (E_RNA) where: Base-Base interactions energy: -112.829 where: short stacking energy: -66.180 Base-Backbone interact. energy: -0.062 local terms energy: -65.844638 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -13.628 flat angles P-C4'-P energy: -9.582 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: 2, replica: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -165.114473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.114473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.114473 (E_RNA) where: Base-Base interactions energy: -95.551 where: short stacking energy: -62.815 Base-Backbone interact. energy: -0.006 local terms energy: -69.557196 where: bonds (distance) C4'-P energy: -10.518 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -10.323 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: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -139.788877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.788877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.788877 (E_RNA) where: Base-Base interactions energy: -86.486 where: short stacking energy: -49.719 Base-Backbone interact. energy: -0.157 local terms energy: -53.146497 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -138.481418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.481418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.481418 (E_RNA) where: Base-Base interactions energy: -83.414 where: short stacking energy: -52.996 Base-Backbone interact. energy: -0.025 local terms energy: -55.042443 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -7.567 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: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -113.311812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.311812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.311812 (E_RNA) where: Base-Base interactions energy: -57.804 where: short stacking energy: -51.309 Base-Backbone interact. energy: -0.043 local terms energy: -55.464837 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -10.824 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: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -103.385018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.385018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.385018 (E_RNA) where: Base-Base interactions energy: -55.862 where: short stacking energy: -38.790 Base-Backbone interact. energy: -0.020 local terms energy: -47.502572 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -86.116977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.116977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.116977 (E_RNA) where: Base-Base interactions energy: -45.376 where: short stacking energy: -30.730 Base-Backbone interact. energy: -0.359 local terms energy: -40.381790 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -9.901 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -94.603137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.603137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.603137 (E_RNA) where: Base-Base interactions energy: -49.795 where: short stacking energy: -47.883 Base-Backbone interact. energy: -0.168 local terms energy: -44.639589 where: bonds (distance) C4'-P energy: -8.558 bonds (distance) P-C4' energy: -9.217 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -9.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -96.792450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.792450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.792450 (E_RNA) where: Base-Base interactions energy: -50.590 where: short stacking energy: -38.598 Base-Backbone interact. energy: 0.301 local terms energy: -46.503138 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -6.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -78.197416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.197416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.197416 (E_RNA) where: Base-Base interactions energy: -33.695 where: short stacking energy: -33.695 Base-Backbone interact. energy: -0.163 local terms energy: -44.339662 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -10.787 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -169.636840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.636840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.636840 (E_RNA) where: Base-Base interactions energy: -107.409 where: short stacking energy: -67.826 Base-Backbone interact. energy: -0.642 local terms energy: -61.585646 where: bonds (distance) C4'-P energy: -13.568 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -15.019 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: 2 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -165.361059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.361059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.361059 (E_RNA) where: Base-Base interactions energy: -102.950 where: short stacking energy: -67.837 Base-Backbone interact. energy: -0.001 local terms energy: -62.409644 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -13.599 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: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -137.673811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.673811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.673811 (E_RNA) where: Base-Base interactions energy: -79.382 where: short stacking energy: -42.879 Base-Backbone interact. energy: -0.038 local terms energy: -58.253688 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -6.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -137.672837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.672837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.672837 (E_RNA) where: Base-Base interactions energy: -76.444 where: short stacking energy: -43.143 Base-Backbone interact. energy: -0.211 local terms energy: -61.018266 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -9.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -103.317126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.317126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.317126 (E_RNA) where: Base-Base interactions energy: -48.521 where: short stacking energy: -48.521 Base-Backbone interact. energy: -0.010 local terms energy: -54.785683 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -9.559 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -86.018931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.018931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.018931 (E_RNA) where: Base-Base interactions energy: -39.295 where: short stacking energy: -39.295 Base-Backbone interact. energy: -0.199 local terms energy: -46.525021 where: bonds (distance) C4'-P energy: -8.695 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -10.122 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -7.890 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -85.052967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.052967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.052967 (E_RNA) where: Base-Base interactions energy: -45.370 where: short stacking energy: -28.368 Base-Backbone interact. energy: 0.195 local terms energy: -39.878734 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -10.883 flat angles P-C4'-P energy: -4.935 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: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -90.062304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.062304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.062304 (E_RNA) where: Base-Base interactions energy: -36.787 where: short stacking energy: -36.787 Base-Backbone interact. energy: -0.143 local terms energy: -53.132363 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -97.837854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.837854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.837854 (E_RNA) where: Base-Base interactions energy: -50.447 where: short stacking energy: -38.645 Base-Backbone interact. energy: 0.424 local terms energy: -47.814726 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -75.163720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.163720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.163720 (E_RNA) where: Base-Base interactions energy: -32.504 where: short stacking energy: -27.037 Base-Backbone interact. energy: -1.040 local terms energy: -41.620373 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -9.331 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -167.650043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.650043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.650043 (E_RNA) where: Base-Base interactions energy: -106.648 where: short stacking energy: -68.985 Base-Backbone interact. energy: -0.001 local terms energy: -61.000363 where: bonds (distance) C4'-P energy: -8.985 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -8.925 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: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -144.509490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.509490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.509490 (E_RNA) where: Base-Base interactions energy: -82.760 where: short stacking energy: -55.472 Base-Backbone interact. energy: -0.001 local terms energy: -61.747713 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -11.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -150.316393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.316393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.316393 (E_RNA) where: Base-Base interactions energy: -84.124 where: short stacking energy: -58.990 Base-Backbone interact. energy: -0.006 local terms energy: -66.186236 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -10.259 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: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -147.157491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.157491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.157491 (E_RNA) where: Base-Base interactions energy: -90.286 where: short stacking energy: -54.392 Base-Backbone interact. energy: -0.046 local terms energy: -56.826043 where: bonds (distance) C4'-P energy: -8.579 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -10.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -98.418839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.418839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.418839 (E_RNA) where: Base-Base interactions energy: -43.970 where: short stacking energy: -43.970 Base-Backbone interact. energy: -0.105 local terms energy: -54.343625 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -95.327475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.327475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.327475 (E_RNA) where: Base-Base interactions energy: -46.487 where: short stacking energy: -42.964 Base-Backbone interact. energy: 0.003 local terms energy: -48.843607 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -0.139 tors. eta vs tors. theta energy: -10.852 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: 115 Temperature: 1.200000 Total energy: -92.727334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.727334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.727334 (E_RNA) where: Base-Base interactions energy: -49.597 where: short stacking energy: -33.527 Base-Backbone interact. energy: -0.109 local terms energy: -43.021631 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -10.743 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -0.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -82.765910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.765910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.765910 (E_RNA) where: Base-Base interactions energy: -34.546 where: short stacking energy: -33.717 Base-Backbone interact. energy: -0.163 local terms energy: -48.057018 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -9.978 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -8.587 tors. eta vs tors. theta energy: -7.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -84.859019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.859019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.859019 (E_RNA) where: Base-Base interactions energy: -37.492 where: short stacking energy: -37.492 Base-Backbone interact. energy: -0.015 local terms energy: -47.352300 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -77.068885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.068885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.068885 (E_RNA) where: Base-Base interactions energy: -32.159 where: short stacking energy: -32.159 Base-Backbone interact. energy: 1.379 local terms energy: -46.289342 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -153.015609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.015609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.015609 (E_RNA) where: Base-Base interactions energy: -90.505 where: short stacking energy: -50.333 Base-Backbone interact. energy: -0.568 local terms energy: -61.942299 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -9.078 tors. eta vs tors. theta energy: -10.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -149.201894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.201894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.201894 (E_RNA) where: Base-Base interactions energy: -86.637 where: short stacking energy: -49.760 Base-Backbone interact. energy: -0.099 local terms energy: -62.465343 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -9.987 flat angles P-C4'-P energy: -10.582 tors. eta vs tors. theta energy: -11.526 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: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -145.398543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.398543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.398543 (E_RNA) where: Base-Base interactions energy: -85.338 where: short stacking energy: -56.600 Base-Backbone interact. energy: -0.006 local terms energy: -60.054751 where: bonds (distance) C4'-P energy: -9.552 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -146.777823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.777823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.777823 (E_RNA) where: Base-Base interactions energy: -87.504 where: short stacking energy: -53.445 Base-Backbone interact. energy: -0.110 local terms energy: -59.164068 where: bonds (distance) C4'-P energy: -9.875 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -10.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -113.394770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.394770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.394770 (E_RNA) where: Base-Base interactions energy: -57.322 where: short stacking energy: -57.322 Base-Backbone interact. energy: -0.014 local terms energy: -56.059232 where: bonds (distance) C4'-P energy: -13.800 bonds (distance) P-C4' energy: -9.968 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -12.365 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: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -102.702753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.702753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.702753 (E_RNA) where: Base-Base interactions energy: -51.647 where: short stacking energy: -30.074 Base-Backbone interact. energy: -0.766 local terms energy: -50.289420 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -13.408 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -84.075390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.075390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.075390 (E_RNA) where: Base-Base interactions energy: -39.219 where: short stacking energy: -39.219 Base-Backbone interact. energy: 0.617 local terms energy: -45.473270 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -9.235 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -86.743844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.743844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.743844 (E_RNA) where: Base-Base interactions energy: -43.031 where: short stacking energy: -42.216 Base-Backbone interact. energy: 0.604 local terms energy: -44.316335 where: bonds (distance) C4'-P energy: -9.088 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -78.867110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.867110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.867110 (E_RNA) where: Base-Base interactions energy: -37.620 where: short stacking energy: -37.620 Base-Backbone interact. energy: -0.005 local terms energy: -41.242573 where: bonds (distance) C4'-P energy: -3.472 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -5.616 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: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -76.297447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.297447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.297447 (E_RNA) where: Base-Base interactions energy: -36.198 where: short stacking energy: -36.198 Base-Backbone interact. energy: -0.101 local terms energy: -39.998790 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -10.836 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -4.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -149.389995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.389995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.389995 (E_RNA) where: Base-Base interactions energy: -89.924 where: short stacking energy: -54.436 Base-Backbone interact. energy: -0.013 local terms energy: -59.453067 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -6.198 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: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -154.567845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.567845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.567845 (E_RNA) where: Base-Base interactions energy: -91.849 where: short stacking energy: -57.168 Base-Backbone interact. energy: -0.090 local terms energy: -62.628566 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -13.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -146.545375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.545375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.545375 (E_RNA) where: Base-Base interactions energy: -87.077 where: short stacking energy: -50.177 Base-Backbone interact. energy: -0.275 local terms energy: -59.193220 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -10.575 flat angles C4'-P-C4' energy: -15.774 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -10.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -138.080306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.080306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.080306 (E_RNA) where: Base-Base interactions energy: -84.136 where: short stacking energy: -49.202 Base-Backbone interact. energy: 0.780 local terms energy: -54.724321 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -10.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -105.500415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.500415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.500415 (E_RNA) where: Base-Base interactions energy: -46.205 where: short stacking energy: -46.205 Base-Backbone interact. energy: -0.026 local terms energy: -59.269612 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -9.640 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: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -87.496561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.496561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.496561 (E_RNA) where: Base-Base interactions energy: -40.771 where: short stacking energy: -40.472 Base-Backbone interact. energy: -0.212 local terms energy: -46.513724 where: bonds (distance) C4'-P energy: -9.289 bonds (distance) P-C4' energy: -10.359 flat angles C4'-P-C4' energy: -10.035 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -98.965158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.965158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.965158 (E_RNA) where: Base-Base interactions energy: -53.685 where: short stacking energy: -29.149 Base-Backbone interact. energy: 0.585 local terms energy: -45.865670 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -2.686 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -77.833217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.833217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.833217 (E_RNA) where: Base-Base interactions energy: -37.429 where: short stacking energy: -32.297 Base-Backbone interact. energy: -0.101 local terms energy: -40.303011 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -0.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -76.087310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.087310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.087310 (E_RNA) where: Base-Base interactions energy: -39.668 where: short stacking energy: -29.237 Base-Backbone interact. energy: 1.131 local terms energy: -37.550917 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -71.904441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.904441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.904441 (E_RNA) where: Base-Base interactions energy: -35.431 where: short stacking energy: -29.891 Base-Backbone interact. energy: 0.870 local terms energy: -37.344049 where: bonds (distance) C4'-P energy: -9.325 bonds (distance) P-C4' energy: -6.154 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -157.363625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.363625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.363625 (E_RNA) where: Base-Base interactions energy: -93.955 where: short stacking energy: -56.763 Base-Backbone interact. energy: -0.001 local terms energy: -63.407186 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -10.548 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: 2, replica: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -160.757480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.757480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.757480 (E_RNA) where: Base-Base interactions energy: -92.479 where: short stacking energy: -59.284 Base-Backbone interact. energy: -0.614 local terms energy: -67.664375 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -13.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -151.995128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.995128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.995128 (E_RNA) where: Base-Base interactions energy: -95.472 where: short stacking energy: -62.492 Base-Backbone interact. energy: 2.065 local terms energy: -58.587852 where: bonds (distance) C4'-P energy: -9.165 bonds (distance) P-C4' energy: -11.924 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -12.821 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: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -134.361057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.361057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.361057 (E_RNA) where: Base-Base interactions energy: -81.998 where: short stacking energy: -51.738 Base-Backbone interact. energy: 0.009 local terms energy: -52.372627 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -10.807 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: 5, replica: 3 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -107.257131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.257131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.257131 (E_RNA) where: Base-Base interactions energy: -55.781 where: short stacking energy: -37.530 Base-Backbone interact. energy: -0.004 local terms energy: -51.471763 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -9.953 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -99.167490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.167490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.167490 (E_RNA) where: Base-Base interactions energy: -47.960 where: short stacking energy: -45.099 Base-Backbone interact. energy: -0.000 local terms energy: -51.206706 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -6.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -126.261998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.261998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.261998 (E_RNA) where: Base-Base interactions energy: -76.161 where: short stacking energy: -40.873 Base-Backbone interact. energy: 0.516 local terms energy: -50.616965 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -11.093 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -8.996 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -84.250494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.250494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.250494 (E_RNA) where: Base-Base interactions energy: -32.886 where: short stacking energy: -29.938 Base-Backbone interact. energy: -0.081 local terms energy: -51.283065 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -11.959 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -9.088 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -79.573619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.573619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.573619 (E_RNA) where: Base-Base interactions energy: -32.108 where: short stacking energy: -32.108 Base-Backbone interact. energy: -0.040 local terms energy: -47.426028 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -75.766670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.766670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.766670 (E_RNA) where: Base-Base interactions energy: -29.461 where: short stacking energy: -28.315 Base-Backbone interact. energy: -0.120 local terms energy: -46.185959 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -8.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -165.295485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.295485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.295485 (E_RNA) where: Base-Base interactions energy: -101.137 where: short stacking energy: -63.848 Base-Backbone interact. energy: -0.011 local terms energy: -64.147769 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -12.675 tors. eta vs tors. theta energy: -13.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -147.479766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.479766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.479766 (E_RNA) where: Base-Base interactions energy: -87.100 where: short stacking energy: -54.216 Base-Backbone interact. energy: -0.469 local terms energy: -59.910844 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: -12.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -150.841763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.841763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.841763 (E_RNA) where: Base-Base interactions energy: -97.024 where: short stacking energy: -60.245 Base-Backbone interact. energy: -0.001 local terms energy: -53.817075 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -12.895 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: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -133.212522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.212522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.212522 (E_RNA) where: Base-Base interactions energy: -76.638 where: short stacking energy: -48.370 Base-Backbone interact. energy: -0.558 local terms energy: -56.015646 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -7.367 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: 5, replica: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -116.952768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.952768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.952768 (E_RNA) where: Base-Base interactions energy: -53.866 where: short stacking energy: -53.684 Base-Backbone interact. energy: -0.003 local terms energy: -63.083522 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -15.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -140.892307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.892307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.892307 (E_RNA) where: Base-Base interactions energy: -85.273 where: short stacking energy: -49.040 Base-Backbone interact. energy: -0.232 local terms energy: -55.387532 where: bonds (distance) C4'-P energy: -12.397 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -6.761 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: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -86.137904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.137904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.137904 (E_RNA) where: Base-Base interactions energy: -40.027 where: short stacking energy: -37.811 Base-Backbone interact. energy: -0.302 local terms energy: -45.808995 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -83.754798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.754798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.754798 (E_RNA) where: Base-Base interactions energy: -34.750 where: short stacking energy: -34.750 Base-Backbone interact. energy: -0.007 local terms energy: -48.998422 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -12.017 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -74.722526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.722526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.722526 (E_RNA) where: Base-Base interactions energy: -30.506 where: short stacking energy: -27.416 Base-Backbone interact. energy: 0.087 local terms energy: -44.303768 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -9.907 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -0.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -73.716790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.716790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.716790 (E_RNA) where: Base-Base interactions energy: -34.470 where: short stacking energy: -25.374 Base-Backbone interact. energy: -0.173 local terms energy: -39.073757 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -159.164652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.164652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.164652 (E_RNA) where: Base-Base interactions energy: -97.750 where: short stacking energy: -54.906 Base-Backbone interact. energy: -0.250 local terms energy: -61.164112 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -16.365 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: 120 Temperature: 0.950000 Total energy: -152.250542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.250542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.250542 (E_RNA) where: Base-Base interactions energy: -91.517 where: short stacking energy: -62.916 Base-Backbone interact. energy: 0.784 local terms energy: -61.517683 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -13.754 flat angles C4'-P-C4' energy: -9.867 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -16.333 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: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -133.935610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.935610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.935610 (E_RNA) where: Base-Base interactions energy: -81.595 where: short stacking energy: -45.625 Base-Backbone interact. energy: -0.003 local terms energy: -52.338071 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -7.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -137.707669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.707669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.707669 (E_RNA) where: Base-Base interactions energy: -85.831 where: short stacking energy: -53.042 Base-Backbone interact. energy: -0.005 local terms energy: -51.871140 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -141.260548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.260548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.260548 (E_RNA) where: Base-Base interactions energy: -84.064 where: short stacking energy: -45.479 Base-Backbone interact. energy: -0.181 local terms energy: -57.015523 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -10.680 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: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -91.644065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.644065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.644065 (E_RNA) where: Base-Base interactions energy: -41.444 where: short stacking energy: -36.725 Base-Backbone interact. energy: -0.055 local terms energy: -50.145125 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -93.762167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.762167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.762167 (E_RNA) where: Base-Base interactions energy: -41.661 where: short stacking energy: -40.937 Base-Backbone interact. energy: -0.214 local terms energy: -51.886896 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -9.042 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -92.715161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.715161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.715161 (E_RNA) where: Base-Base interactions energy: -38.865 where: short stacking energy: -38.303 Base-Backbone interact. energy: -0.150 local terms energy: -53.699929 where: bonds (distance) C4'-P energy: -12.736 bonds (distance) P-C4' energy: -9.474 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -10.513 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: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -97.174592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.174592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.174592 (E_RNA) where: Base-Base interactions energy: -45.230 where: short stacking energy: -45.230 Base-Backbone interact. energy: -0.001 local terms energy: -51.943383 where: bonds (distance) C4'-P energy: -8.174 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -5.465 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -85.947870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.947870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.947870 (E_RNA) where: Base-Base interactions energy: -39.105 where: short stacking energy: -36.634 Base-Backbone interact. energy: -0.257 local terms energy: -46.586580 where: bonds (distance) C4'-P energy: -8.568 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -10.722 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -6.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -167.334981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.334981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.334981 (E_RNA) where: Base-Base interactions energy: -103.043 where: short stacking energy: -59.175 Base-Backbone interact. energy: -0.063 local terms energy: -64.228706 where: bonds (distance) C4'-P energy: -12.099 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -11.417 tors. eta vs tors. theta energy: -12.151 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: 2 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -148.725962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.725962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.725962 (E_RNA) where: Base-Base interactions energy: -87.712 where: short stacking energy: -57.557 Base-Backbone interact. energy: -0.002 local terms energy: -61.012083 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -11.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -133.174922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.174922 (E_RNA) where: Base-Base interactions energy: -80.051 where: short stacking energy: -48.071 Base-Backbone interact. energy: 0.194 local terms energy: -53.317760 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -10.489 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -136.074198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.074198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.074198 (E_RNA) where: Base-Base interactions energy: -78.378 where: short stacking energy: -49.401 Base-Backbone interact. energy: -0.075 local terms energy: -57.621093 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -13.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -132.848035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.848035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.848035 (E_RNA) where: Base-Base interactions energy: -73.169 where: short stacking energy: -46.730 Base-Backbone interact. energy: -0.002 local terms energy: -59.677704 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -14.178 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -8.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -107.655794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.655794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.655794 (E_RNA) where: Base-Base interactions energy: -54.727 where: short stacking energy: -50.315 Base-Backbone interact. energy: -0.293 local terms energy: -52.635690 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -11.343 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -9.836 tors. eta vs tors. theta energy: -10.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -92.703591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.703591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.703591 (E_RNA) where: Base-Base interactions energy: -46.429 where: short stacking energy: -38.129 Base-Backbone interact. energy: -0.081 local terms energy: -46.193120 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -80.640940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.640940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.640940 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.064 local terms energy: -47.045033 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -10.323 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -5.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -79.434383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.434383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.434383 (E_RNA) where: Base-Base interactions energy: -38.351 where: short stacking energy: -35.207 Base-Backbone interact. energy: -0.091 local terms energy: -40.991640 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -9.725 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -82.461155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.461155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.461155 (E_RNA) where: Base-Base interactions energy: -31.858 where: short stacking energy: -29.359 Base-Backbone interact. energy: -0.546 local terms energy: -50.056766 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -9.563 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -173.961415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.961415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.961415 (E_RNA) where: Base-Base interactions energy: -108.909 where: short stacking energy: -69.466 Base-Backbone interact. energy: -0.024 local terms energy: -65.027878 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -10.854 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: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -142.709109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.709109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.709109 (E_RNA) where: Base-Base interactions energy: -84.366 where: short stacking energy: -52.737 Base-Backbone interact. energy: -0.541 local terms energy: -57.802228 where: bonds (distance) C4'-P energy: -11.101 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -9.060 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: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -145.627077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.627077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.627077 (E_RNA) where: Base-Base interactions energy: -88.984 where: short stacking energy: -54.731 Base-Backbone interact. energy: -0.002 local terms energy: -56.640716 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -12.025 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: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -138.708332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.708332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.708332 (E_RNA) where: Base-Base interactions energy: -76.627 where: short stacking energy: -46.837 Base-Backbone interact. energy: 0.764 local terms energy: -62.845642 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -11.059 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: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -108.470307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.470307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.470307 (E_RNA) where: Base-Base interactions energy: -59.763 where: short stacking energy: -54.322 Base-Backbone interact. energy: -0.280 local terms energy: -48.427507 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -4.836 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: 6, replica: 4 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -118.955135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.955135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.955135 (E_RNA) where: Base-Base interactions energy: -67.954 where: short stacking energy: -38.404 Base-Backbone interact. energy: -0.077 local terms energy: -50.923783 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -9.377 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -82.343925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.343925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.343925 (E_RNA) where: Base-Base interactions energy: -38.028 where: short stacking energy: -38.028 Base-Backbone interact. energy: 0.610 local terms energy: -44.925828 where: bonds (distance) C4'-P energy: -11.287 bonds (distance) P-C4' energy: -10.008 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -6.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -77.690429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.690429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.690429 (E_RNA) where: Base-Base interactions energy: -38.257 where: short stacking energy: -38.257 Base-Backbone interact. energy: -0.445 local terms energy: -38.988305 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -85.291725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.291725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.291725 (E_RNA) where: Base-Base interactions energy: -40.747 where: short stacking energy: -40.601 Base-Backbone interact. energy: -0.054 local terms energy: -44.490696 where: bonds (distance) C4'-P energy: -10.741 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -9.628 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -80.128029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.128029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.128029 (E_RNA) where: Base-Base interactions energy: -33.310 where: short stacking energy: -34.374 Base-Backbone interact. energy: -0.063 local terms energy: -46.755137 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -8.189 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: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -163.177273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.177273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.177273 (E_RNA) where: Base-Base interactions energy: -102.776 where: short stacking energy: -59.348 Base-Backbone interact. energy: 0.017 local terms energy: -60.418259 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -12.379 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: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -155.726636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.726636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.726636 (E_RNA) where: Base-Base interactions energy: -95.053 where: short stacking energy: -62.364 Base-Backbone interact. energy: -0.133 local terms energy: -60.541388 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -14.117 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: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -144.823845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.823845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.823845 (E_RNA) where: Base-Base interactions energy: -86.403 where: short stacking energy: -54.613 Base-Backbone interact. energy: -0.024 local terms energy: -58.396711 where: bonds (distance) C4'-P energy: -9.801 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -133.247743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.247743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.247743 (E_RNA) where: Base-Base interactions energy: -75.441 where: short stacking energy: -42.197 Base-Backbone interact. energy: 0.534 local terms energy: -58.341084 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -11.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -103.106861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.106861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.106861 (E_RNA) where: Base-Base interactions energy: -51.845 where: short stacking energy: -51.845 Base-Backbone interact. energy: -0.001 local terms energy: -51.260797 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -10.122 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -10.312 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: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -90.921883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.921883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.921883 (E_RNA) where: Base-Base interactions energy: -35.267 where: short stacking energy: -34.538 Base-Backbone interact. energy: -0.410 local terms energy: -55.244697 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -5.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -106.375350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.375350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.375350 (E_RNA) where: Base-Base interactions energy: -58.595 where: short stacking energy: -30.793 Base-Backbone interact. energy: -0.020 local terms energy: -47.760758 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -3.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -81.448830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.448830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.448830 (E_RNA) where: Base-Base interactions energy: -39.775 where: short stacking energy: -30.509 Base-Backbone interact. energy: -0.574 local terms energy: -41.100265 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -11.017 flat angles C4'-P-C4' energy: -9.719 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -88.197280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.197280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.197280 (E_RNA) where: Base-Base interactions energy: -36.727 where: short stacking energy: -26.370 Base-Backbone interact. energy: 0.354 local terms energy: -51.824037 where: bonds (distance) C4'-P energy: -10.124 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -64.710618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.710618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.710618 (E_RNA) where: Base-Base interactions energy: -28.323 where: short stacking energy: -24.447 Base-Backbone interact. energy: -0.046 local terms energy: -36.341088 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -166.126379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.126379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.126379 (E_RNA) where: Base-Base interactions energy: -97.131 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.063 local terms energy: -68.932355 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -14.885 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: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -163.017236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.017236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.017236 (E_RNA) where: Base-Base interactions energy: -107.055 where: short stacking energy: -65.172 Base-Backbone interact. energy: -0.002 local terms energy: -55.960958 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -15.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -143.499501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.499501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.499501 (E_RNA) where: Base-Base interactions energy: -80.160 where: short stacking energy: -47.867 Base-Backbone interact. energy: -0.001 local terms energy: -63.339160 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -11.359 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: 124 Temperature: 1.050000 Total energy: -140.291674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.291674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.291674 (E_RNA) where: Base-Base interactions energy: -81.774 where: short stacking energy: -52.251 Base-Backbone interact. energy: -0.004 local terms energy: -58.513506 where: bonds (distance) C4'-P energy: -14.521 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -11.093 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: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -86.738165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.738165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.738165 (E_RNA) where: Base-Base interactions energy: -41.685 where: short stacking energy: -36.665 Base-Backbone interact. energy: -0.006 local terms energy: -45.047338 where: bonds (distance) C4'-P energy: -8.115 bonds (distance) P-C4' energy: -10.605 flat angles C4'-P-C4' energy: -10.468 flat angles P-C4'-P energy: -8.965 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -89.862230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.862230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.862230 (E_RNA) where: Base-Base interactions energy: -39.115 where: short stacking energy: -36.735 Base-Backbone interact. energy: -0.021 local terms energy: -50.725931 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -90.896215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.896215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.896215 (E_RNA) where: Base-Base interactions energy: -39.140 where: short stacking energy: -39.140 Base-Backbone interact. energy: -0.070 local terms energy: -51.686830 where: bonds (distance) C4'-P energy: -14.975 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -82.623225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.623225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.623225 (E_RNA) where: Base-Base interactions energy: -25.440 where: short stacking energy: -25.440 Base-Backbone interact. energy: -0.118 local terms energy: -57.064836 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -11.959 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -80.367651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.367651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.367651 (E_RNA) where: Base-Base interactions energy: -37.886 where: short stacking energy: -35.604 Base-Backbone interact. energy: -0.032 local terms energy: -42.449432 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -7.506 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -78.102260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.102260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.102260 (E_RNA) where: Base-Base interactions energy: -30.540 where: short stacking energy: -18.973 Base-Backbone interact. energy: -0.669 local terms energy: -46.892706 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -158.998978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.998978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.998978 (E_RNA) where: Base-Base interactions energy: -96.639 where: short stacking energy: -55.828 Base-Backbone interact. energy: -0.040 local terms energy: -62.320277 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -10.995 flat angles P-C4'-P energy: -11.666 tors. eta vs tors. theta energy: -12.368 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: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -140.439073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.439073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.439073 (E_RNA) where: Base-Base interactions energy: -84.811 where: short stacking energy: -46.618 Base-Backbone interact. energy: -0.009 local terms energy: -55.618903 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -155.830114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.830114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.830114 (E_RNA) where: Base-Base interactions energy: -93.662 where: short stacking energy: -54.296 Base-Backbone interact. energy: -0.476 local terms energy: -61.691432 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -13.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -138.692326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.692326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.692326 (E_RNA) where: Base-Base interactions energy: -79.729 where: short stacking energy: -47.253 Base-Backbone interact. energy: -0.113 local terms energy: -58.849645 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -10.717 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: 10 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -111.356822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.356822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.356822 (E_RNA) where: Base-Base interactions energy: -49.804 where: short stacking energy: -49.804 Base-Backbone interact. energy: -0.151 local terms energy: -61.401185 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -10.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -90.709023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.709023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.709023 (E_RNA) where: Base-Base interactions energy: -44.309 where: short stacking energy: -40.002 Base-Backbone interact. energy: -0.939 local terms energy: -45.461174 where: bonds (distance) C4'-P energy: -8.510 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -95.816051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.816051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.816051 (E_RNA) where: Base-Base interactions energy: -47.287 where: short stacking energy: -42.146 Base-Backbone interact. energy: -0.014 local terms energy: -48.515148 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -9.495 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -82.754823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.754823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.754823 (E_RNA) where: Base-Base interactions energy: -35.072 where: short stacking energy: -35.072 Base-Backbone interact. energy: -0.298 local terms energy: -47.384524 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -8.709 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -7.385 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: 4 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -86.042572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.042572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.042572 (E_RNA) where: Base-Base interactions energy: -34.866 where: short stacking energy: -34.866 Base-Backbone interact. energy: -0.074 local terms energy: -51.102556 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -71.606090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.606090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.606090 (E_RNA) where: Base-Base interactions energy: -30.690 where: short stacking energy: -30.361 Base-Backbone interact. energy: 0.814 local terms energy: -41.729746 where: bonds (distance) C4'-P energy: -12.534 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -164.457576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.457576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.457576 (E_RNA) where: Base-Base interactions energy: -99.291 where: short stacking energy: -64.319 Base-Backbone interact. energy: -0.090 local terms energy: -65.076771 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -10.944 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -18.755 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: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -163.030750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.030750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.030750 (E_RNA) where: Base-Base interactions energy: -100.637 where: short stacking energy: -60.590 Base-Backbone interact. energy: -0.410 local terms energy: -61.984414 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -16.065 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: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -146.814810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.814810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.814810 (E_RNA) where: Base-Base interactions energy: -80.725 where: short stacking energy: -50.330 Base-Backbone interact. energy: -0.201 local terms energy: -65.888945 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -12.581 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: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -134.996400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.996400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.996400 (E_RNA) where: Base-Base interactions energy: -88.912 where: short stacking energy: -47.719 Base-Backbone interact. energy: -0.590 local terms energy: -45.494112 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -5.832 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -99.204432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.204432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.204432 (E_RNA) where: Base-Base interactions energy: -43.494 where: short stacking energy: -43.269 Base-Backbone interact. energy: -0.002 local terms energy: -55.707971 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -9.854 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -7.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -92.952409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.952409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.952409 (E_RNA) where: Base-Base interactions energy: -39.648 where: short stacking energy: -35.751 Base-Backbone interact. energy: -0.196 local terms energy: -53.108633 where: bonds (distance) C4'-P energy: -9.826 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -7.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -98.314314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.314314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.314314 (E_RNA) where: Base-Base interactions energy: -50.120 where: short stacking energy: -35.854 Base-Backbone interact. energy: -0.023 local terms energy: -48.171862 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -9.584 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -80.917836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.917836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.917836 (E_RNA) where: Base-Base interactions energy: -30.169 where: short stacking energy: -23.522 Base-Backbone interact. energy: -0.220 local terms energy: -50.528844 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -11.359 flat angles P-C4'-P energy: -10.129 tors. eta vs tors. theta energy: -3.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -80.444740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.444740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.444740 (E_RNA) where: Base-Base interactions energy: -33.773 where: short stacking energy: -32.091 Base-Backbone interact. energy: -1.256 local terms energy: -45.415212 where: bonds (distance) C4'-P energy: -11.263 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -9.442 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -74.306462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.306462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.306462 (E_RNA) where: Base-Base interactions energy: -31.622 where: short stacking energy: -30.094 Base-Backbone interact. energy: -0.033 local terms energy: -42.651503 where: bonds (distance) C4'-P energy: -8.398 bonds (distance) P-C4' energy: -8.670 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -8.520 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: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -159.145931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.145931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.145931 (E_RNA) where: Base-Base interactions energy: -96.856 where: short stacking energy: -64.294 Base-Backbone interact. energy: -0.311 local terms energy: -61.978913 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -12.411 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -17.481 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: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -168.178975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.178975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.178975 (E_RNA) where: Base-Base interactions energy: -100.930 where: short stacking energy: -58.861 Base-Backbone interact. energy: -0.002 local terms energy: -67.246462 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -13.069 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -10.101 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: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -151.445128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.445128 (E_RNA) where: Base-Base interactions energy: -93.265 where: short stacking energy: -57.651 Base-Backbone interact. energy: 0.464 local terms energy: -58.644017 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -11.831 flat angles P-C4'-P energy: -7.299 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: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -143.602806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.602806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.602806 (E_RNA) where: Base-Base interactions energy: -91.113 where: short stacking energy: -57.020 Base-Backbone interact. energy: -0.626 local terms energy: -51.863189 where: bonds (distance) C4'-P energy: -9.052 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -11.030 flat angles P-C4'-P energy: -8.006 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: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -95.721105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.721105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.721105 (E_RNA) where: Base-Base interactions energy: -44.358 where: short stacking energy: -40.983 Base-Backbone interact. energy: -0.041 local terms energy: -51.322486 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -11.123 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -98.590402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.590402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.590402 (E_RNA) where: Base-Base interactions energy: -45.617 where: short stacking energy: -45.617 Base-Backbone interact. energy: -0.003 local terms energy: -52.970429 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -9.516 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -10.984 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: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -85.527113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.527113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.527113 (E_RNA) where: Base-Base interactions energy: -35.624 where: short stacking energy: -35.534 Base-Backbone interact. energy: -0.354 local terms energy: -49.549299 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -5.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -88.013568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.013568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.013568 (E_RNA) where: Base-Base interactions energy: -40.098 where: short stacking energy: -40.389 Base-Backbone interact. energy: -0.328 local terms energy: -47.587251 where: bonds (distance) C4'-P energy: -7.039 bonds (distance) P-C4' energy: -10.463 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -4.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -84.790152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.790152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.790152 (E_RNA) where: Base-Base interactions energy: -45.634 where: short stacking energy: -44.701 Base-Backbone interact. energy: -0.127 local terms energy: -39.029327 where: bonds (distance) C4'-P energy: -8.814 bonds (distance) P-C4' energy: -8.169 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -4.051 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: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -90.846078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.846078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.846078 (E_RNA) where: Base-Base interactions energy: -45.588 where: short stacking energy: -45.588 Base-Backbone interact. energy: -0.078 local terms energy: -45.180251 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -12.072 flat angles C4'-P-C4' energy: -9.565 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -8.448 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: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -170.042045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.042045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.042045 (E_RNA) where: Base-Base interactions energy: -104.340 where: short stacking energy: -63.096 Base-Backbone interact. energy: -0.151 local terms energy: -65.551156 where: bonds (distance) C4'-P energy: -14.822 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -10.602 flat angles P-C4'-P energy: -11.554 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: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -151.219742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.219742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.219742 (E_RNA) where: Base-Base interactions energy: -90.183 where: short stacking energy: -60.481 Base-Backbone interact. energy: -0.327 local terms energy: -60.709089 where: bonds (distance) C4'-P energy: -9.677 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -14.641 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: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -158.049816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.049816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.049816 (E_RNA) where: Base-Base interactions energy: -97.118 where: short stacking energy: -64.350 Base-Backbone interact. energy: -0.572 local terms energy: -60.359714 where: bonds (distance) C4'-P energy: -8.707 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -15.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -130.879837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.879837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.879837 (E_RNA) where: Base-Base interactions energy: -79.066 where: short stacking energy: -49.486 Base-Backbone interact. energy: -0.027 local terms energy: -51.786995 where: bonds (distance) C4'-P energy: -11.383 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -8.366 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: 5, replica: 7 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -139.693445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.693445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.693445 (E_RNA) where: Base-Base interactions energy: -75.820 where: short stacking energy: -55.575 Base-Backbone interact. energy: -0.004 local terms energy: -63.868775 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -15.200 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: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -94.062587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.062587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.062587 (E_RNA) where: Base-Base interactions energy: -41.753 where: short stacking energy: -38.819 Base-Backbone interact. energy: -0.139 local terms energy: -52.170673 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -8.044 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: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -101.487747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.487747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.487747 (E_RNA) where: Base-Base interactions energy: -48.542 where: short stacking energy: -48.542 Base-Backbone interact. energy: 1.096 local terms energy: -54.042447 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -9.719 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -11.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -80.657686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.657686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.657686 (E_RNA) where: Base-Base interactions energy: -37.851 where: short stacking energy: -37.582 Base-Backbone interact. energy: -0.090 local terms energy: -42.716580 where: bonds (distance) C4'-P energy: -6.510 bonds (distance) P-C4' energy: -9.311 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -69.126978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.126978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.126978 (E_RNA) where: Base-Base interactions energy: -32.962 where: short stacking energy: -32.962 Base-Backbone interact. energy: -0.066 local terms energy: -36.099726 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: 0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -72.273028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.273028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.273028 (E_RNA) where: Base-Base interactions energy: -26.016 where: short stacking energy: -26.016 Base-Backbone interact. energy: -0.078 local terms energy: -46.178774 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -9.073 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -167.670993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.670993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.670993 (E_RNA) where: Base-Base interactions energy: -104.872 where: short stacking energy: -58.219 Base-Backbone interact. energy: -0.068 local terms energy: -62.730902 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -14.441 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: 129 Temperature: 0.950000 Total energy: -151.849323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.849323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.849323 (E_RNA) where: Base-Base interactions energy: -91.263 where: short stacking energy: -55.423 Base-Backbone interact. energy: -0.168 local terms energy: -60.418308 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -132.785069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.785069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.785069 (E_RNA) where: Base-Base interactions energy: -81.515 where: short stacking energy: -55.479 Base-Backbone interact. energy: -0.413 local terms energy: -50.856824 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -10.732 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -9.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -139.672276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.672276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.672276 (E_RNA) where: Base-Base interactions energy: -79.562 where: short stacking energy: -49.871 Base-Backbone interact. energy: -0.291 local terms energy: -59.819315 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -90.666550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.666550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.666550 (E_RNA) where: Base-Base interactions energy: -40.886 where: short stacking energy: -37.442 Base-Backbone interact. energy: 0.559 local terms energy: -50.338907 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -7.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -89.167044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.167044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.167044 (E_RNA) where: Base-Base interactions energy: -43.521 where: short stacking energy: -36.594 Base-Backbone interact. energy: -0.143 local terms energy: -45.502769 where: bonds (distance) C4'-P energy: -9.634 bonds (distance) P-C4' energy: -8.182 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -8.678 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: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -100.980869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.980869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.980869 (E_RNA) where: Base-Base interactions energy: -54.068 where: short stacking energy: -47.363 Base-Backbone interact. energy: -0.003 local terms energy: -46.910264 where: bonds (distance) C4'-P energy: -8.705 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -11.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -79.636615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.636615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.636615 (E_RNA) where: Base-Base interactions energy: -37.484 where: short stacking energy: -29.569 Base-Backbone interact. energy: -0.173 local terms energy: -41.979663 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -83.379460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.379460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.379460 (E_RNA) where: Base-Base interactions energy: -34.169 where: short stacking energy: -32.204 Base-Backbone interact. energy: -0.130 local terms energy: -49.080279 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -10.599 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -7.944 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: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -67.696854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.696854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.696854 (E_RNA) where: Base-Base interactions energy: -19.986 where: short stacking energy: -19.986 Base-Backbone interact. energy: -0.006 local terms energy: -47.704875 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -8.470 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -169.652952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.652952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.652952 (E_RNA) where: Base-Base interactions energy: -100.439 where: short stacking energy: -68.446 Base-Backbone interact. energy: -0.007 local terms energy: -69.206134 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -10.145 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: 2, replica: 6 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -161.585286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.585286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.585286 (E_RNA) where: Base-Base interactions energy: -98.687 where: short stacking energy: -59.718 Base-Backbone interact. energy: -1.336 local terms energy: -61.561572 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -14.909 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: 2 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -146.238261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.238261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.238261 (E_RNA) where: Base-Base interactions energy: -90.991 where: short stacking energy: -53.742 Base-Backbone interact. energy: -0.136 local terms energy: -55.111453 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -10.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -133.020709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.020709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.020709 (E_RNA) where: Base-Base interactions energy: -91.783 where: short stacking energy: -54.147 Base-Backbone interact. energy: -0.073 local terms energy: -41.164495 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -5.857 flat angles C4'-P-C4' energy: -8.416 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -8.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -124.568324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.568324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.568324 (E_RNA) where: Base-Base interactions energy: -70.259 where: short stacking energy: -40.822 Base-Backbone interact. energy: -0.006 local terms energy: -54.303111 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -9.858 flat angles P-C4'-P energy: -10.208 tors. eta vs tors. theta energy: -9.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -107.042781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.042781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.042781 (E_RNA) where: Base-Base interactions energy: -48.933 where: short stacking energy: -44.746 Base-Backbone interact. energy: -0.063 local terms energy: -58.046165 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -14.350 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: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -86.226190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.226190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.226190 (E_RNA) where: Base-Base interactions energy: -39.004 where: short stacking energy: -34.181 Base-Backbone interact. energy: -0.011 local terms energy: -47.210707 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -10.653 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -84.979121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.979121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.979121 (E_RNA) where: Base-Base interactions energy: -39.458 where: short stacking energy: -26.942 Base-Backbone interact. energy: -0.490 local terms energy: -45.032042 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -1.984 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: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -80.112252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.112252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.112252 (E_RNA) where: Base-Base interactions energy: -33.060 where: short stacking energy: -33.060 Base-Backbone interact. energy: -0.409 local terms energy: -46.643421 where: bonds (distance) C4'-P energy: -7.930 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -10.128 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -74.292553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.292553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.292553 (E_RNA) where: Base-Base interactions energy: -29.375 where: short stacking energy: -29.375 Base-Backbone interact. energy: -0.154 local terms energy: -44.764189 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -162.187158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.187158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.187158 (E_RNA) where: Base-Base interactions energy: -96.071 where: short stacking energy: -61.924 Base-Backbone interact. energy: -0.004 local terms energy: -66.112503 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -12.145 tors. eta vs tors. theta energy: -13.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -147.764269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.764269 (E_RNA) where: Base-Base interactions energy: -90.032 where: short stacking energy: -53.849 Base-Backbone interact. energy: -0.382 local terms energy: -57.349883 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -11.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -153.934532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.934532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.934532 (E_RNA) where: Base-Base interactions energy: -94.497 where: short stacking energy: -54.816 Base-Backbone interact. energy: -1.538 local terms energy: -57.899682 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -14.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -136.156743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.156743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.156743 (E_RNA) where: Base-Base interactions energy: -77.465 where: short stacking energy: -53.039 Base-Backbone interact. energy: -0.009 local terms energy: -58.683145 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -8.959 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: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -130.813560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.813560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.813560 (E_RNA) where: Base-Base interactions energy: -79.816 where: short stacking energy: -44.711 Base-Backbone interact. energy: -0.042 local terms energy: -50.954824 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -86.184655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.184655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.184655 (E_RNA) where: Base-Base interactions energy: -36.841 where: short stacking energy: -36.841 Base-Backbone interact. energy: -0.045 local terms energy: -49.298634 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -2.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -77.604239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.604239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.604239 (E_RNA) where: Base-Base interactions energy: -32.300 where: short stacking energy: -32.300 Base-Backbone interact. energy: -0.096 local terms energy: -45.207568 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -78.780953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.780953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.780953 (E_RNA) where: Base-Base interactions energy: -31.620 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.110 local terms energy: -47.051598 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -10.330 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -73.252882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.252882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.252882 (E_RNA) where: Base-Base interactions energy: -30.541 where: short stacking energy: -30.541 Base-Backbone interact. energy: -0.037 local terms energy: -42.675446 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -72.856828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.856828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.856828 (E_RNA) where: Base-Base interactions energy: -28.320 where: short stacking energy: -27.032 Base-Backbone interact. energy: -0.142 local terms energy: -44.395648 where: bonds (distance) C4'-P energy: -10.190 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -158.258825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.258825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.258825 (E_RNA) where: Base-Base interactions energy: -97.340 where: short stacking energy: -60.190 Base-Backbone interact. energy: -0.004 local terms energy: -60.914578 where: bonds (distance) C4'-P energy: -13.506 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -12.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -138.071360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.071360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.071360 (E_RNA) where: Base-Base interactions energy: -77.350 where: short stacking energy: -48.337 Base-Backbone interact. energy: 0.376 local terms energy: -61.097752 where: bonds (distance) C4'-P energy: -13.627 bonds (distance) P-C4' energy: -13.544 flat angles C4'-P-C4' energy: -13.159 flat angles P-C4'-P energy: -11.816 tors. eta vs tors. theta energy: -8.953 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: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -143.959937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.959937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.959937 (E_RNA) where: Base-Base interactions energy: -89.874 where: short stacking energy: -49.087 Base-Backbone interact. energy: -0.012 local terms energy: -54.074094 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -10.357 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -10.698 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: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -135.472782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.472782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.472782 (E_RNA) where: Base-Base interactions energy: -77.837 where: short stacking energy: -49.450 Base-Backbone interact. energy: -0.031 local terms energy: -57.604564 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -9.752 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: 3 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -95.454139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.454139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.454139 (E_RNA) where: Base-Base interactions energy: -51.843 where: short stacking energy: -34.090 Base-Backbone interact. energy: -0.170 local terms energy: -43.441170 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -8.837 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -125.363942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.363942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.363942 (E_RNA) where: Base-Base interactions energy: -73.062 where: short stacking energy: -39.208 Base-Backbone interact. energy: -0.098 local terms energy: -52.203845 where: bonds (distance) C4'-P energy: -13.523 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -6.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -89.619652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.619652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.619652 (E_RNA) where: Base-Base interactions energy: -36.538 where: short stacking energy: -33.405 Base-Backbone interact. energy: -0.108 local terms energy: -52.973083 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -11.646 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -88.187623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.187623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.187623 (E_RNA) where: Base-Base interactions energy: -40.905 where: short stacking energy: -40.388 Base-Backbone interact. energy: -0.189 local terms energy: -47.094329 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -79.773826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.773826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.773826 (E_RNA) where: Base-Base interactions energy: -36.344 where: short stacking energy: -25.686 Base-Backbone interact. energy: 0.755 local terms energy: -44.185702 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -9.231 flat angles P-C4'-P energy: -6.000 tors. eta vs tors. theta energy: -2.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -68.342554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.342554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.342554 (E_RNA) where: Base-Base interactions energy: -33.568 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.290 local terms energy: -34.485379 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -160.061736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.061736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.061736 (E_RNA) where: Base-Base interactions energy: -101.190 where: short stacking energy: -63.847 Base-Backbone interact. energy: -0.745 local terms energy: -58.126923 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -13.662 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: 133 Temperature: 0.950000 Total energy: -141.111857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.111857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.111857 (E_RNA) where: Base-Base interactions energy: -80.161 where: short stacking energy: -43.891 Base-Backbone interact. energy: -0.003 local terms energy: -60.948119 where: bonds (distance) C4'-P energy: -14.951 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -10.331 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -9.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -156.535617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.535617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.535617 (E_RNA) where: Base-Base interactions energy: -94.172 where: short stacking energy: -65.354 Base-Backbone interact. energy: -0.000 local terms energy: -62.363108 where: bonds (distance) C4'-P energy: -13.668 bonds (distance) P-C4' energy: -8.283 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -8.824 tors. eta vs tors. theta energy: -16.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -134.327242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.327242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.327242 (E_RNA) where: Base-Base interactions energy: -80.599 where: short stacking energy: -50.260 Base-Backbone interact. energy: -0.078 local terms energy: -53.650237 where: bonds (distance) C4'-P energy: -8.853 bonds (distance) P-C4' energy: -9.237 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -12.537 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: 5, replica: 3 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -98.576656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.576656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.576656 (E_RNA) where: Base-Base interactions energy: -45.431 where: short stacking energy: -42.775 Base-Backbone interact. energy: -0.116 local terms energy: -53.029702 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -120.867723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.867723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.867723 (E_RNA) where: Base-Base interactions energy: -72.907 where: short stacking energy: -45.641 Base-Backbone interact. energy: -0.089 local terms energy: -47.871978 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -10.077 flat angles P-C4'-P energy: -7.151 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: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -83.829701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.829701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.829701 (E_RNA) where: Base-Base interactions energy: -42.173 where: short stacking energy: -42.173 Base-Backbone interact. energy: -0.000 local terms energy: -41.656570 where: bonds (distance) C4'-P energy: -9.172 bonds (distance) P-C4' energy: -8.953 flat angles C4'-P-C4' energy: -8.661 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -81.080316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.080316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.080316 (E_RNA) where: Base-Base interactions energy: -42.523 where: short stacking energy: -28.361 Base-Backbone interact. energy: -0.133 local terms energy: -38.424181 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -80.043852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.043852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.043852 (E_RNA) where: Base-Base interactions energy: -29.880 where: short stacking energy: -27.623 Base-Backbone interact. energy: -0.205 local terms energy: -49.959139 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -12.447 flat angles C4'-P-C4' energy: -9.763 flat angles P-C4'-P energy: -9.066 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -83.200611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.200611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.200611 (E_RNA) where: Base-Base interactions energy: -34.412 where: short stacking energy: -32.324 Base-Backbone interact. energy: -0.067 local terms energy: -48.721075 where: bonds (distance) C4'-P energy: -9.135 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -151.328693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.328693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.328693 (E_RNA) where: Base-Base interactions energy: -90.594 where: short stacking energy: -57.486 Base-Backbone interact. energy: -0.001 local terms energy: -60.733743 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -12.899 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: 134 Temperature: 0.950000 Total energy: -153.519530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.519530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.519530 (E_RNA) where: Base-Base interactions energy: -86.421 where: short stacking energy: -56.444 Base-Backbone interact. energy: -0.097 local terms energy: -67.001195 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -14.048 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -8.853 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: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -144.861235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.861235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.861235 (E_RNA) where: Base-Base interactions energy: -86.062 where: short stacking energy: -53.913 Base-Backbone interact. energy: 0.335 local terms energy: -59.133982 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -10.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -127.669281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.669281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.669281 (E_RNA) where: Base-Base interactions energy: -72.804 where: short stacking energy: -53.333 Base-Backbone interact. energy: -0.103 local terms energy: -54.761998 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -7.568 tors. eta vs tors. theta energy: -9.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -120.674525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.674525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.674525 (E_RNA) where: Base-Base interactions energy: -70.843 where: short stacking energy: -36.390 Base-Backbone interact. energy: -0.761 local terms energy: -49.070220 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -9.964 flat angles C4'-P-C4' energy: -11.591 flat angles P-C4'-P energy: -8.508 tors. eta vs tors. theta energy: -5.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -95.262457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.262457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.262457 (E_RNA) where: Base-Base interactions energy: -42.724 where: short stacking energy: -35.331 Base-Backbone interact. energy: -0.158 local terms energy: -52.381031 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -85.674939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.674939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.674939 (E_RNA) where: Base-Base interactions energy: -33.411 where: short stacking energy: -25.032 Base-Backbone interact. energy: 0.614 local terms energy: -52.878614 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -88.294264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.294264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.294264 (E_RNA) where: Base-Base interactions energy: -42.328 where: short stacking energy: -42.328 Base-Backbone interact. energy: -0.107 local terms energy: -45.858403 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -76.547563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.547563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.547563 (E_RNA) where: Base-Base interactions energy: -30.887 where: short stacking energy: -30.887 Base-Backbone interact. energy: -0.225 local terms energy: -45.435516 where: bonds (distance) C4'-P energy: -9.072 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -10.691 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -78.624852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.624852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.624852 (E_RNA) where: Base-Base interactions energy: -41.473 where: short stacking energy: -35.265 Base-Backbone interact. energy: 0.136 local terms energy: -37.287482 where: bonds (distance) C4'-P energy: -3.280 bonds (distance) P-C4' energy: -10.971 flat angles C4'-P-C4' energy: -9.965 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -148.843203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.843203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.843203 (E_RNA) where: Base-Base interactions energy: -86.627 where: short stacking energy: -54.556 Base-Backbone interact. energy: -0.112 local terms energy: -62.104273 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.995 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -11.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -154.183324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.183324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.183324 (E_RNA) where: Base-Base interactions energy: -90.788 where: short stacking energy: -58.905 Base-Backbone interact. energy: -0.049 local terms energy: -63.345797 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -12.554 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: 2 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -128.639375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.639375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.639375 (E_RNA) where: Base-Base interactions energy: -74.997 where: short stacking energy: -44.306 Base-Backbone interact. energy: -0.006 local terms energy: -53.635632 where: bonds (distance) C4'-P energy: -9.966 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -7.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -140.526556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.526556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.526556 (E_RNA) where: Base-Base interactions energy: -81.876 where: short stacking energy: -50.472 Base-Backbone interact. energy: -0.006 local terms energy: -58.644171 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -11.668 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: 7 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -122.238802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.238802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.238802 (E_RNA) where: Base-Base interactions energy: -66.438 where: short stacking energy: -43.512 Base-Backbone interact. energy: -0.102 local terms energy: -55.698752 where: bonds (distance) C4'-P energy: -9.818 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -9.671 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: 6, replica: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -89.594092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.594092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.594092 (E_RNA) where: Base-Base interactions energy: -34.111 where: short stacking energy: -34.111 Base-Backbone interact. energy: -0.181 local terms energy: -55.302118 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -12.610 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -103.205322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.205322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.205322 (E_RNA) where: Base-Base interactions energy: -56.168 where: short stacking energy: -37.043 Base-Backbone interact. energy: -0.478 local terms energy: -46.558953 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -9.031 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -74.462268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.462268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.462268 (E_RNA) where: Base-Base interactions energy: -32.431 where: short stacking energy: -22.052 Base-Backbone interact. energy: -0.139 local terms energy: -41.892211 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -94.085118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.085118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.085118 (E_RNA) where: Base-Base interactions energy: -37.117 where: short stacking energy: -36.165 Base-Backbone interact. energy: -0.019 local terms energy: -56.948324 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -11.379 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: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -78.117660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.117660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.117660 (E_RNA) where: Base-Base interactions energy: -35.076 where: short stacking energy: -27.811 Base-Backbone interact. energy: -0.497 local terms energy: -42.544592 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -166.342682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.342682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.342682 (E_RNA) where: Base-Base interactions energy: -102.822 where: short stacking energy: -64.143 Base-Backbone interact. energy: -0.519 local terms energy: -63.001716 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -14.861 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: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -149.002027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.002027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.002027 (E_RNA) where: Base-Base interactions energy: -87.075 where: short stacking energy: -57.635 Base-Backbone interact. energy: -0.082 local terms energy: -61.844621 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -10.466 tors. eta vs tors. theta energy: -12.636 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -152.210455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.210455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.210455 (E_RNA) where: Base-Base interactions energy: -90.274 where: short stacking energy: -50.556 Base-Backbone interact. energy: -0.258 local terms energy: -61.678025 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -13.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -146.191734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.191734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.191734 (E_RNA) where: Base-Base interactions energy: -83.477 where: short stacking energy: -55.718 Base-Backbone interact. energy: -0.059 local terms energy: -62.655143 where: bonds (distance) C4'-P energy: -14.016 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -11.828 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: 7 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -133.972166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.972166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.972166 (E_RNA) where: Base-Base interactions energy: -83.751 where: short stacking energy: -53.299 Base-Backbone interact. energy: -0.018 local terms energy: -50.202713 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -11.421 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -9.850 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: 136 Temperature: 1.150000 Total energy: -93.253504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.253504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.253504 (E_RNA) where: Base-Base interactions energy: -45.947 where: short stacking energy: -38.159 Base-Backbone interact. energy: -0.066 local terms energy: -47.239908 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -122.669321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.669321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.669321 (E_RNA) where: Base-Base interactions energy: -72.447 where: short stacking energy: -45.102 Base-Backbone interact. energy: -0.601 local terms energy: -49.621059 where: bonds (distance) C4'-P energy: -9.707 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -10.471 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -88.385548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.385548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.385548 (E_RNA) where: Base-Base interactions energy: -38.163 where: short stacking energy: -33.945 Base-Backbone interact. energy: -0.050 local terms energy: -50.172855 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -5.045 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: 9, replica: 8 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -85.066664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.066664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.066664 (E_RNA) where: Base-Base interactions energy: -37.565 where: short stacking energy: -37.565 Base-Backbone interact. energy: -0.030 local terms energy: -47.471322 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -9.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -76.799481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.799481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.799481 (E_RNA) where: Base-Base interactions energy: -33.434 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.601 local terms energy: -42.764482 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -10.885 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -1.902 tors. eta vs tors. theta energy: -7.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -148.205596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.205596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.205596 (E_RNA) where: Base-Base interactions energy: -89.567 where: short stacking energy: -56.746 Base-Backbone interact. energy: -0.007 local terms energy: -58.630930 where: bonds (distance) C4'-P energy: -11.118 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -6.425 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: 2, replica: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -165.296249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.296249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.296249 (E_RNA) where: Base-Base interactions energy: -105.465 where: short stacking energy: -71.823 Base-Backbone interact. energy: -0.002 local terms energy: -59.829891 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -10.580 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -18.508 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: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -132.071758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.071758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.071758 (E_RNA) where: Base-Base interactions energy: -81.727 where: short stacking energy: -56.406 Base-Backbone interact. energy: -0.944 local terms energy: -49.401332 where: bonds (distance) C4'-P energy: -9.296 bonds (distance) P-C4' energy: -10.313 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -11.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -142.036569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.036569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.036569 (E_RNA) where: Base-Base interactions energy: -79.847 where: short stacking energy: -51.670 Base-Backbone interact. energy: -0.059 local terms energy: -62.130811 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -9.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -136.006857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.006857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.006857 (E_RNA) where: Base-Base interactions energy: -80.430 where: short stacking energy: -53.145 Base-Backbone interact. energy: -0.039 local terms energy: -55.537214 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -9.983 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: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -139.580384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.580384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.580384 (E_RNA) where: Base-Base interactions energy: -83.695 where: short stacking energy: -49.677 Base-Backbone interact. energy: -0.076 local terms energy: -55.808978 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -13.294 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -11.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -104.225403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.225403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.225403 (E_RNA) where: Base-Base interactions energy: -48.349 where: short stacking energy: -48.349 Base-Backbone interact. energy: -0.032 local terms energy: -55.843742 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -15.168 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -74.983211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.983211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.983211 (E_RNA) where: Base-Base interactions energy: -31.217 where: short stacking energy: -30.604 Base-Backbone interact. energy: -0.079 local terms energy: -43.687015 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -3.274 tors. eta vs tors. theta energy: -2.028 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: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -92.483113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.483113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.483113 (E_RNA) where: Base-Base interactions energy: -46.178 where: short stacking energy: -46.178 Base-Backbone interact. energy: -0.211 local terms energy: -46.094604 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -3.342 tors. eta vs tors. theta energy: -13.854 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: 137 Temperature: 1.350000 Total energy: -73.492072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.492072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.492072 (E_RNA) where: Base-Base interactions energy: -31.973 where: short stacking energy: -31.973 Base-Backbone interact. energy: -0.208 local terms energy: -41.310835 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -9.645 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -2.811 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: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -149.496801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.496801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.496801 (E_RNA) where: Base-Base interactions energy: -88.968 where: short stacking energy: -56.532 Base-Backbone interact. energy: -0.009 local terms energy: -60.519847 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -12.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -151.731122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.731122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.731122 (E_RNA) where: Base-Base interactions energy: -90.048 where: short stacking energy: -55.219 Base-Backbone interact. energy: -0.018 local terms energy: -61.665469 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -7.817 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: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -138.053091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.053091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.053091 (E_RNA) where: Base-Base interactions energy: -86.507 where: short stacking energy: -49.517 Base-Backbone interact. energy: -0.015 local terms energy: -51.530469 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -10.534 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -139.679950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.679950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.679950 (E_RNA) where: Base-Base interactions energy: -84.358 where: short stacking energy: -46.691 Base-Backbone interact. energy: -0.050 local terms energy: -55.271526 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -12.965 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -138.092266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.092266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.092266 (E_RNA) where: Base-Base interactions energy: -86.014 where: short stacking energy: -52.959 Base-Backbone interact. energy: 0.298 local terms energy: -52.375722 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -7.446 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -9.634 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: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -122.576236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.576236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.576236 (E_RNA) where: Base-Base interactions energy: -78.271 where: short stacking energy: -47.298 Base-Backbone interact. energy: 0.137 local terms energy: -44.442551 where: bonds (distance) C4'-P energy: -8.506 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -9.056 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -6.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -90.288013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.288013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.288013 (E_RNA) where: Base-Base interactions energy: -42.521 where: short stacking energy: -39.150 Base-Backbone interact. energy: -0.014 local terms energy: -47.752933 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -9.714 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -88.106920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.106920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.106920 (E_RNA) where: Base-Base interactions energy: -39.594 where: short stacking energy: -31.169 Base-Backbone interact. energy: -0.121 local terms energy: -48.392034 where: bonds (distance) C4'-P energy: -13.660 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -15.035 flat angles P-C4'-P energy: -1.753 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -74.129245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.129245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.129245 (E_RNA) where: Base-Base interactions energy: -27.599 where: short stacking energy: -27.599 Base-Backbone interact. energy: 0.109 local terms energy: -46.639532 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -71.730661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.730661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.730661 (E_RNA) where: Base-Base interactions energy: -32.460 where: short stacking energy: -32.460 Base-Backbone interact. energy: 0.095 local terms energy: -39.365673 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -1.530 tors. eta vs tors. theta energy: -1.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -163.639102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.639102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.639102 (E_RNA) where: Base-Base interactions energy: -103.546 where: short stacking energy: -57.141 Base-Backbone interact. energy: -0.009 local terms energy: -60.084358 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -15.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -153.208266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.208266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.208266 (E_RNA) where: Base-Base interactions energy: -94.196 where: short stacking energy: -60.855 Base-Backbone interact. energy: 0.346 local terms energy: -59.358329 where: bonds (distance) C4'-P energy: -6.957 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -10.791 tors. eta vs tors. theta energy: -12.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -144.596467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.596467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.596467 (E_RNA) where: Base-Base interactions energy: -80.157 where: short stacking energy: -57.818 Base-Backbone interact. energy: -0.095 local terms energy: -64.344786 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -13.397 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: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -142.829876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.829876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.829876 (E_RNA) where: Base-Base interactions energy: -90.763 where: short stacking energy: -57.593 Base-Backbone interact. energy: 0.310 local terms energy: -52.377005 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -7.550 tors. eta vs tors. theta energy: -8.297 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: 5, replica: 5 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -138.046451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.046451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.046451 (E_RNA) where: Base-Base interactions energy: -82.369 where: short stacking energy: -54.356 Base-Backbone interact. energy: -0.002 local terms energy: -55.676305 where: bonds (distance) C4'-P energy: -8.261 bonds (distance) P-C4' energy: -16.475 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -13.750 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: 139 Temperature: 1.150000 Total energy: -129.032200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.032200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.032200 (E_RNA) where: Base-Base interactions energy: -75.589 where: short stacking energy: -44.111 Base-Backbone interact. energy: 1.005 local terms energy: -54.448401 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -11.402 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -86.435760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.435760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.435760 (E_RNA) where: Base-Base interactions energy: -41.779 where: short stacking energy: -41.779 Base-Backbone interact. energy: -0.219 local terms energy: -44.438140 where: bonds (distance) C4'-P energy: -8.248 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -6.682 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: 9 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -86.701299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.701299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.701299 (E_RNA) where: Base-Base interactions energy: -36.271 where: short stacking energy: -36.271 Base-Backbone interact. energy: -0.002 local terms energy: -50.428540 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -13.491 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -78.578804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.578804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.578804 (E_RNA) where: Base-Base interactions energy: -29.878 where: short stacking energy: -29.878 Base-Backbone interact. energy: 1.019 local terms energy: -49.719842 where: bonds (distance) C4'-P energy: -15.427 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -75.511169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.511169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.511169 (E_RNA) where: Base-Base interactions energy: -27.015 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.085 local terms energy: -48.410845 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -8.598 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -158.470356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.470356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.470356 (E_RNA) where: Base-Base interactions energy: -95.005 where: short stacking energy: -58.306 Base-Backbone interact. energy: -0.348 local terms energy: -63.117270 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -11.502 tors. eta vs tors. theta energy: -14.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -156.841459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.841459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.841459 (E_RNA) where: Base-Base interactions energy: -96.168 where: short stacking energy: -65.237 Base-Backbone interact. energy: -0.427 local terms energy: -60.246836 where: bonds (distance) C4'-P energy: -8.469 bonds (distance) P-C4' energy: -15.243 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -16.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -150.250061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.250061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.250061 (E_RNA) where: Base-Base interactions energy: -87.424 where: short stacking energy: -54.148 Base-Backbone interact. energy: -0.188 local terms energy: -62.637904 where: bonds (distance) C4'-P energy: -8.376 bonds (distance) P-C4' energy: -16.461 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -10.174 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: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -136.032146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.032146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.032146 (E_RNA) where: Base-Base interactions energy: -75.264 where: short stacking energy: -54.386 Base-Backbone interact. energy: -0.006 local terms energy: -60.762160 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.316 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -122.333525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.333525 (E_RNA) where: Base-Base interactions energy: -65.780 where: short stacking energy: -42.369 Base-Backbone interact. energy: -0.021 local terms energy: -56.532397 where: bonds (distance) C4'-P energy: -13.635 bonds (distance) P-C4' energy: -14.901 flat angles C4'-P-C4' energy: -10.132 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -9.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -126.455517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.455517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.455517 (E_RNA) where: Base-Base interactions energy: -73.046 where: short stacking energy: -41.522 Base-Backbone interact. energy: -0.001 local terms energy: -53.407919 where: bonds (distance) C4'-P energy: -10.050 bonds (distance) P-C4' energy: -12.799 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -10.599 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -90.822165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.822165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.822165 (E_RNA) where: Base-Base interactions energy: -37.426 where: short stacking energy: -35.960 Base-Backbone interact. energy: -0.155 local terms energy: -53.241475 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -85.585574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.585574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.585574 (E_RNA) where: Base-Base interactions energy: -40.392 where: short stacking energy: -40.074 Base-Backbone interact. energy: -0.055 local terms energy: -45.138965 where: bonds (distance) C4'-P energy: -10.011 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -6.601 tors. eta vs tors. theta energy: -7.376 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: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -84.954973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.954973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.954973 (E_RNA) where: Base-Base interactions energy: -39.757 where: short stacking energy: -37.517 Base-Backbone interact. energy: -0.000 local terms energy: -45.198128 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -9.845 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -6.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -67.529493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.529493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.529493 (E_RNA) where: Base-Base interactions energy: -30.978 where: short stacking energy: -30.978 Base-Backbone interact. energy: -0.144 local terms energy: -36.407561 where: bonds (distance) C4'-P energy: -9.516 bonds (distance) P-C4' energy: -11.574 flat angles C4'-P-C4' energy: -9.615 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: 2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -150.443127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.443127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.443127 (E_RNA) where: Base-Base interactions energy: -88.764 where: short stacking energy: -56.288 Base-Backbone interact. energy: -0.224 local terms energy: -61.454754 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -11.391 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -8.285 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: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -148.733710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.733710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.733710 (E_RNA) where: Base-Base interactions energy: -90.605 where: short stacking energy: -53.631 Base-Backbone interact. energy: 0.603 local terms energy: -58.731056 where: bonds (distance) C4'-P energy: -9.922 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -8.525 tors. eta vs tors. theta energy: -14.430 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -158.857142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.857142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.857142 (E_RNA) where: Base-Base interactions energy: -96.491 where: short stacking energy: -61.630 Base-Backbone interact. energy: -0.106 local terms energy: -62.260079 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -16.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -154.271574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.271574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.271574 (E_RNA) where: Base-Base interactions energy: -93.218 where: short stacking energy: -62.443 Base-Backbone interact. energy: -0.008 local terms energy: -61.045339 where: bonds (distance) C4'-P energy: -10.778 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -15.858 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -14.390 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: 141 Temperature: 1.100000 Total energy: -143.848095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.848095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.848095 (E_RNA) where: Base-Base interactions energy: -85.179 where: short stacking energy: -51.832 Base-Backbone interact. energy: -0.002 local terms energy: -58.667872 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -7.807 tors. eta vs tors. theta energy: -11.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -103.618141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.618141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.618141 (E_RNA) where: Base-Base interactions energy: -53.241 where: short stacking energy: -41.190 Base-Backbone interact. energy: -0.050 local terms energy: -50.326322 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -105.770980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.770980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.770980 (E_RNA) where: Base-Base interactions energy: -60.744 where: short stacking energy: -30.588 Base-Backbone interact. energy: -0.035 local terms energy: -44.992372 where: bonds (distance) C4'-P energy: -9.362 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -76.910869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.910869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.910869 (E_RNA) where: Base-Base interactions energy: -38.439 where: short stacking energy: -39.339 Base-Backbone interact. energy: -0.016 local terms energy: -38.455690 where: bonds (distance) C4'-P energy: -10.259 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -1.606 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -75.436642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.436642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.436642 (E_RNA) where: Base-Base interactions energy: -30.594 where: short stacking energy: -30.594 Base-Backbone interact. energy: -0.082 local terms energy: -44.761279 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -4.567 flat angles P-C4'-P energy: -9.401 tors. eta vs tors. theta energy: -4.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -72.087051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.087051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.087051 (E_RNA) where: Base-Base interactions energy: -26.214 where: short stacking energy: -26.214 Base-Backbone interact. energy: -0.024 local terms energy: -45.849254 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -8.730 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -166.754772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.754772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.754772 (E_RNA) where: Base-Base interactions energy: -102.129 where: short stacking energy: -62.524 Base-Backbone interact. energy: -0.014 local terms energy: -64.611423 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -7.854 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: 2, replica: 7 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -153.739877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.739877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.739877 (E_RNA) where: Base-Base interactions energy: -88.612 where: short stacking energy: -55.836 Base-Backbone interact. energy: -0.101 local terms energy: -65.027156 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -15.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -154.876910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.876910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.876910 (E_RNA) where: Base-Base interactions energy: -94.388 where: short stacking energy: -61.726 Base-Backbone interact. energy: -0.066 local terms energy: -60.422889 where: bonds (distance) C4'-P energy: -8.616 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -9.884 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: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -154.915806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.915806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.915806 (E_RNA) where: Base-Base interactions energy: -95.307 where: short stacking energy: -59.471 Base-Backbone interact. energy: -0.004 local terms energy: -59.604248 where: bonds (distance) C4'-P energy: -8.409 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -11.082 tors. eta vs tors. theta energy: -13.500 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: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -112.967554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.967554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.967554 (E_RNA) where: Base-Base interactions energy: -52.840 where: short stacking energy: -50.695 Base-Backbone interact. energy: -0.018 local terms energy: -60.109327 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -132.454626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.454626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.454626 (E_RNA) where: Base-Base interactions energy: -81.539 where: short stacking energy: -49.824 Base-Backbone interact. energy: -0.412 local terms energy: -50.502951 where: bonds (distance) C4'-P energy: -9.239 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -10.886 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -10.340 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: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -93.282891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.282891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.282891 (E_RNA) where: Base-Base interactions energy: -43.750 where: short stacking energy: -41.231 Base-Backbone interact. energy: -0.379 local terms energy: -49.154459 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -88.603094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.603094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.603094 (E_RNA) where: Base-Base interactions energy: -44.049 where: short stacking energy: -41.890 Base-Backbone interact. energy: 0.254 local terms energy: -44.808907 where: bonds (distance) C4'-P energy: -10.144 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -82.958232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.958232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.958232 (E_RNA) where: Base-Base interactions energy: -44.432 where: short stacking energy: -40.395 Base-Backbone interact. energy: -0.078 local terms energy: -38.448061 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -8.589 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -5.448 tors. eta vs tors. theta energy: -7.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -83.515544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.515544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.515544 (E_RNA) where: Base-Base interactions energy: -31.405 where: short stacking energy: -31.405 Base-Backbone interact. energy: -0.083 local terms energy: -52.027328 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -163.345849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.345849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.345849 (E_RNA) where: Base-Base interactions energy: -93.419 where: short stacking energy: -64.611 Base-Backbone interact. energy: -0.350 local terms energy: -69.576435 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -19.000 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: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -151.409758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.409758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.409758 (E_RNA) where: Base-Base interactions energy: -90.090 where: short stacking energy: -57.098 Base-Backbone interact. energy: 0.764 local terms energy: -62.083785 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -8.610 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: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -130.306911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.306911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.306911 (E_RNA) where: Base-Base interactions energy: -68.257 where: short stacking energy: -42.914 Base-Backbone interact. energy: -1.046 local terms energy: -61.004222 where: bonds (distance) C4'-P energy: -16.114 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -140.993152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.993152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.993152 (E_RNA) where: Base-Base interactions energy: -80.114 where: short stacking energy: -52.809 Base-Backbone interact. energy: -0.002 local terms energy: -60.877249 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -6.977 tors. eta vs tors. theta energy: -12.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -110.125312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.125312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.125312 (E_RNA) where: Base-Base interactions energy: -53.268 where: short stacking energy: -51.667 Base-Backbone interact. energy: 1.659 local terms energy: -58.515829 where: bonds (distance) C4'-P energy: -10.032 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -13.485 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: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -101.626990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.626990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.626990 (E_RNA) where: Base-Base interactions energy: -43.292 where: short stacking energy: -37.334 Base-Backbone interact. energy: -0.273 local terms energy: -58.061484 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -145.633672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.633672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.633672 (E_RNA) where: Base-Base interactions energy: -87.792 where: short stacking energy: -56.265 Base-Backbone interact. energy: -0.236 local terms energy: -57.606491 where: bonds (distance) C4'-P energy: -10.782 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -12.493 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: 4 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -81.110686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.110686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.110686 (E_RNA) where: Base-Base interactions energy: -38.927 where: short stacking energy: -38.927 Base-Backbone interact. energy: -0.264 local terms energy: -41.919921 where: bonds (distance) C4'-P energy: -8.339 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -6.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -85.028380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.028380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.028380 (E_RNA) where: Base-Base interactions energy: -45.697 where: short stacking energy: -28.663 Base-Backbone interact. energy: -0.165 local terms energy: -39.165842 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: 0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -73.955620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.955620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.955620 (E_RNA) where: Base-Base interactions energy: -28.091 where: short stacking energy: -26.832 Base-Backbone interact. energy: -0.019 local terms energy: -45.845152 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -8.501 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: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -173.222230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.222230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.222230 (E_RNA) where: Base-Base interactions energy: -109.291 where: short stacking energy: -64.823 Base-Backbone interact. energy: -0.001 local terms energy: -63.930320 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -15.334 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -16.537 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: 144 Temperature: 0.950000 Total energy: -161.238294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.238294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.238294 (E_RNA) where: Base-Base interactions energy: -101.317 where: short stacking energy: -58.247 Base-Backbone interact. energy: -0.654 local terms energy: -59.267533 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -7.245 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -138.201852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.201852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.201852 (E_RNA) where: Base-Base interactions energy: -83.902 where: short stacking energy: -47.664 Base-Backbone interact. energy: -0.165 local terms energy: -54.134357 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -7.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -143.701246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.701246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.701246 (E_RNA) where: Base-Base interactions energy: -89.125 where: short stacking energy: -56.681 Base-Backbone interact. energy: -0.004 local terms energy: -54.571814 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -9.590 flat angles C4'-P-C4' energy: -11.130 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -15.240 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: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -103.664484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.664484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.664484 (E_RNA) where: Base-Base interactions energy: -56.654 where: short stacking energy: -51.118 Base-Backbone interact. energy: -0.093 local terms energy: -46.917732 where: bonds (distance) C4'-P energy: -8.856 bonds (distance) P-C4' energy: -10.488 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -7.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -103.096169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.096169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.096169 (E_RNA) where: Base-Base interactions energy: -49.404 where: short stacking energy: -45.645 Base-Backbone interact. energy: -0.201 local terms energy: -53.491720 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -8.116 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: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -128.456558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.456558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.456558 (E_RNA) where: Base-Base interactions energy: -78.460 where: short stacking energy: -49.806 Base-Backbone interact. energy: -0.021 local terms energy: -49.975316 where: bonds (distance) C4'-P energy: -10.223 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -93.110564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.110564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.110564 (E_RNA) where: Base-Base interactions energy: -42.111 where: short stacking energy: -42.111 Base-Backbone interact. energy: 0.083 local terms energy: -51.082127 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -8.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -68.121954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.121954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.121954 (E_RNA) where: Base-Base interactions energy: -23.483 where: short stacking energy: -22.606 Base-Backbone interact. energy: -0.464 local terms energy: -44.174950 where: bonds (distance) C4'-P energy: -8.054 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -95.387268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.387268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.387268 (E_RNA) where: Base-Base interactions energy: -40.743 where: short stacking energy: -31.380 Base-Backbone interact. energy: -0.478 local terms energy: -54.165967 where: bonds (distance) C4'-P energy: -7.450 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -10.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -167.517008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.517008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.517008 (E_RNA) where: Base-Base interactions energy: -103.520 where: short stacking energy: -70.072 Base-Backbone interact. energy: -0.070 local terms energy: -63.927037 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -11.397 flat angles C4'-P-C4' energy: -15.625 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -18.145 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: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -147.693747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.693747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.693747 (E_RNA) where: Base-Base interactions energy: -96.327 where: short stacking energy: -49.639 Base-Backbone interact. energy: -0.103 local terms energy: -51.263638 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -14.991 flat angles P-C4'-P energy: -7.136 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: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -140.989958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.989958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.989958 (E_RNA) where: Base-Base interactions energy: -86.109 where: short stacking energy: -52.383 Base-Backbone interact. energy: -0.154 local terms energy: -54.727242 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -9.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -131.184859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.184859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.184859 (E_RNA) where: Base-Base interactions energy: -80.218 where: short stacking energy: -49.869 Base-Backbone interact. energy: -0.178 local terms energy: -50.788372 where: bonds (distance) C4'-P energy: -8.435 bonds (distance) P-C4' energy: -14.654 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -10.225 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: 145 Temperature: 1.100000 Total energy: -94.521046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.521046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.521046 (E_RNA) where: Base-Base interactions energy: -42.514 where: short stacking energy: -39.306 Base-Backbone interact. energy: -0.111 local terms energy: -51.895921 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -11.135 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -133.243921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.243921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.243921 (E_RNA) where: Base-Base interactions energy: -74.475 where: short stacking energy: -45.165 Base-Backbone interact. energy: -0.061 local terms energy: -58.708050 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -9.573 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: 145 Temperature: 1.200000 Total energy: -93.866003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.866003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.866003 (E_RNA) where: Base-Base interactions energy: -39.969 where: short stacking energy: -37.506 Base-Backbone interact. energy: 1.285 local terms energy: -55.181644 where: bonds (distance) C4'-P energy: -9.562 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -7.190 tors. eta vs tors. theta energy: -11.901 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: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -80.648122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.648122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.648122 (E_RNA) where: Base-Base interactions energy: -34.141 where: short stacking energy: -32.113 Base-Backbone interact. energy: -0.276 local terms energy: -46.230772 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -76.226899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.226899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.226899 (E_RNA) where: Base-Base interactions energy: -27.088 where: short stacking energy: -26.876 Base-Backbone interact. energy: -0.039 local terms energy: -49.100399 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -75.708768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.708768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.708768 (E_RNA) where: Base-Base interactions energy: -32.617 where: short stacking energy: -31.820 Base-Backbone interact. energy: -0.052 local terms energy: -43.040429 where: bonds (distance) C4'-P energy: -8.228 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -0.437 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: 6 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -164.491362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.491362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.491362 (E_RNA) where: Base-Base interactions energy: -101.248 where: short stacking energy: -63.600 Base-Backbone interact. energy: -0.007 local terms energy: -63.236086 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -15.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -162.612870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.612870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.612870 (E_RNA) where: Base-Base interactions energy: -100.522 where: short stacking energy: -64.488 Base-Backbone interact. energy: -0.002 local terms energy: -62.088410 where: bonds (distance) C4'-P energy: -10.380 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -16.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -144.916411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.916411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.916411 (E_RNA) where: Base-Base interactions energy: -86.639 where: short stacking energy: -55.338 Base-Backbone interact. energy: -0.133 local terms energy: -58.144212 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -13.532 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: 4, replica: 7 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -137.901711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.901711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.901711 (E_RNA) where: Base-Base interactions energy: -76.830 where: short stacking energy: -50.250 Base-Backbone interact. energy: -0.097 local terms energy: -60.974790 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -11.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -132.256708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.256708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.256708 (E_RNA) where: Base-Base interactions energy: -82.533 where: short stacking energy: -51.832 Base-Backbone interact. energy: -0.007 local terms energy: -49.716263 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -9.359 flat angles P-C4'-P energy: -3.232 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: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -96.268820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.268820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.268820 (E_RNA) where: Base-Base interactions energy: -49.859 where: short stacking energy: -49.859 Base-Backbone interact. energy: -0.032 local terms energy: -46.378490 where: bonds (distance) C4'-P energy: -7.971 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -97.651838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.651838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.651838 (E_RNA) where: Base-Base interactions energy: -47.974 where: short stacking energy: -39.788 Base-Backbone interact. energy: -0.165 local terms energy: -49.512679 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -9.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -78.898256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.898256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.898256 (E_RNA) where: Base-Base interactions energy: -28.924 where: short stacking energy: -28.924 Base-Backbone interact. energy: -0.335 local terms energy: -49.639391 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -11.766 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -4.849 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: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -89.219231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.219231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.219231 (E_RNA) where: Base-Base interactions energy: -44.821 where: short stacking energy: -44.426 Base-Backbone interact. energy: -1.149 local terms energy: -43.248737 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -85.978945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.978945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.978945 (E_RNA) where: Base-Base interactions energy: -36.341 where: short stacking energy: -35.924 Base-Backbone interact. energy: 0.206 local terms energy: -49.843316 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -12.449 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -10.326 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: 6 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -174.526895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.526895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.526895 (E_RNA) where: Base-Base interactions energy: -108.823 where: short stacking energy: -65.605 Base-Backbone interact. energy: -0.000 local terms energy: -65.703572 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -12.543 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -17.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -138.783130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.783130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.783130 (E_RNA) where: Base-Base interactions energy: -86.079 where: short stacking energy: -49.264 Base-Backbone interact. energy: -0.026 local terms energy: -52.677544 where: bonds (distance) C4'-P energy: -8.911 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -9.220 tors. eta vs tors. theta energy: -8.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -157.985534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.985534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.985534 (E_RNA) where: Base-Base interactions energy: -102.131 where: short stacking energy: -63.199 Base-Backbone interact. energy: -0.432 local terms energy: -55.421908 where: bonds (distance) C4'-P energy: -7.740 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -18.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -130.026681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.026681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.026681 (E_RNA) where: Base-Base interactions energy: -77.526 where: short stacking energy: -45.201 Base-Backbone interact. energy: -0.578 local terms energy: -51.922879 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -141.373887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.373887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.373887 (E_RNA) where: Base-Base interactions energy: -85.387 where: short stacking energy: -57.374 Base-Backbone interact. energy: -0.436 local terms energy: -55.550294 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -2.492 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: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -101.065079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.065079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.065079 (E_RNA) where: Base-Base interactions energy: -57.551 where: short stacking energy: -31.985 Base-Backbone interact. energy: -0.398 local terms energy: -43.116814 where: bonds (distance) C4'-P energy: -9.168 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -90.513319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.513319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.513319 (E_RNA) where: Base-Base interactions energy: -40.358 where: short stacking energy: -40.358 Base-Backbone interact. energy: -0.036 local terms energy: -50.118931 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -11.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -80.781625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.781625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.781625 (E_RNA) where: Base-Base interactions energy: -35.588 where: short stacking energy: -34.615 Base-Backbone interact. energy: -0.299 local terms energy: -44.894503 where: bonds (distance) C4'-P energy: -8.996 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -85.448720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.448720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.448720 (E_RNA) where: Base-Base interactions energy: -41.307 where: short stacking energy: -41.307 Base-Backbone interact. energy: -0.001 local terms energy: -44.140578 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -8.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -75.507910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.507910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.507910 (E_RNA) where: Base-Base interactions energy: -24.422 where: short stacking energy: -24.213 Base-Backbone interact. energy: -0.028 local terms energy: -51.058114 where: bonds (distance) C4'-P energy: -9.733 bonds (distance) P-C4' energy: -13.446 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -176.007570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.007570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.007570 (E_RNA) where: Base-Base interactions energy: -108.129 where: short stacking energy: -70.999 Base-Backbone interact. energy: -0.002 local terms energy: -67.876726 where: bonds (distance) C4'-P energy: -10.363 bonds (distance) P-C4' energy: -12.952 flat angles C4'-P-C4' energy: -15.196 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -19.809 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: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -153.937986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.937986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.937986 (E_RNA) where: Base-Base interactions energy: -91.193 where: short stacking energy: -61.667 Base-Backbone interact. energy: -0.003 local terms energy: -62.742032 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -5.853 tors. eta vs tors. theta energy: -14.599 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: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -138.677761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.677761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.677761 (E_RNA) where: Base-Base interactions energy: -78.336 where: short stacking energy: -45.803 Base-Backbone interact. energy: -0.029 local terms energy: -60.312742 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -11.707 flat angles C4'-P-C4' energy: -13.309 flat angles P-C4'-P energy: -12.322 tors. eta vs tors. theta energy: -9.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -137.928276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.928276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.928276 (E_RNA) where: Base-Base interactions energy: -91.890 where: short stacking energy: -60.428 Base-Backbone interact. energy: -0.050 local terms energy: -45.987832 where: bonds (distance) C4'-P energy: -9.379 bonds (distance) P-C4' energy: -8.937 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -10.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -103.338709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.338709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.338709 (E_RNA) where: Base-Base interactions energy: -43.841 where: short stacking energy: -43.841 Base-Backbone interact. energy: -0.062 local terms energy: -59.435631 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -7.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -116.791450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.791450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.791450 (E_RNA) where: Base-Base interactions energy: -70.314 where: short stacking energy: -41.712 Base-Backbone interact. energy: -0.036 local terms energy: -46.441350 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -10.030 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -90.545123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.545123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.545123 (E_RNA) where: Base-Base interactions energy: -42.975 where: short stacking energy: -39.758 Base-Backbone interact. energy: -0.419 local terms energy: -47.150778 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -11.326 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -7.139 tors. eta vs tors. theta energy: -6.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -87.018694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.018694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.018694 (E_RNA) where: Base-Base interactions energy: -35.108 where: short stacking energy: -35.108 Base-Backbone interact. energy: -0.099 local terms energy: -51.811699 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -80.186632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.186632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.186632 (E_RNA) where: Base-Base interactions energy: -36.243 where: short stacking energy: -31.903 Base-Backbone interact. energy: -0.086 local terms energy: -43.857242 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -9.924 flat angles C4'-P-C4' energy: -9.444 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -8.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -84.669495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.669495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.669495 (E_RNA) where: Base-Base interactions energy: -40.051 where: short stacking energy: -38.884 Base-Backbone interact. energy: -0.122 local terms energy: -44.496933 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -165.723464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.723464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.723464 (E_RNA) where: Base-Base interactions energy: -101.213 where: short stacking energy: -65.326 Base-Backbone interact. energy: -0.010 local terms energy: -64.500245 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -15.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -148.339878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.339878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.339878 (E_RNA) where: Base-Base interactions energy: -87.062 where: short stacking energy: -58.596 Base-Backbone interact. energy: -0.575 local terms energy: -60.703141 where: bonds (distance) C4'-P energy: -10.661 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -10.564 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: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -156.087144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.087144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.087144 (E_RNA) where: Base-Base interactions energy: -96.277 where: short stacking energy: -61.404 Base-Backbone interact. energy: -0.008 local terms energy: -59.802023 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -7.609 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: 4, replica: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -138.240740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.240740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.240740 (E_RNA) where: Base-Base interactions energy: -83.438 where: short stacking energy: -53.033 Base-Backbone interact. energy: -0.001 local terms energy: -54.802324 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -9.682 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -12.323 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: 149 Temperature: 1.100000 Total energy: -103.530668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.530668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.530668 (E_RNA) where: Base-Base interactions energy: -42.816 where: short stacking energy: -42.816 Base-Backbone interact. energy: -0.216 local terms energy: -60.498427 where: bonds (distance) C4'-P energy: -15.535 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -11.019 tors. eta vs tors. theta energy: -8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -91.672986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.672986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.672986 (E_RNA) where: Base-Base interactions energy: -40.614 where: short stacking energy: -39.382 Base-Backbone interact. energy: -0.212 local terms energy: -50.847044 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -9.624 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -6.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -115.496334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.496334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.496334 (E_RNA) where: Base-Base interactions energy: -69.617 where: short stacking energy: -32.444 Base-Backbone interact. energy: -0.253 local terms energy: -45.626059 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -14.056 flat angles C4'-P-C4' energy: -9.811 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -91.588614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.588614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.588614 (E_RNA) where: Base-Base interactions energy: -39.601 where: short stacking energy: -39.601 Base-Backbone interact. energy: -0.707 local terms energy: -51.280066 where: bonds (distance) C4'-P energy: -10.546 bonds (distance) P-C4' energy: -11.118 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -8.788 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -73.436760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.436760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.436760 (E_RNA) where: Base-Base interactions energy: -32.986 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.137 local terms energy: -40.313500 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -1.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -79.138489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.138489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.138489 (E_RNA) where: Base-Base interactions energy: -35.366 where: short stacking energy: -35.366 Base-Backbone interact. energy: -0.006 local terms energy: -43.766744 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -10.382 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -157.556400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.556400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.556400 (E_RNA) where: Base-Base interactions energy: -93.128 where: short stacking energy: -55.035 Base-Backbone interact. energy: 0.345 local terms energy: -64.773948 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -15.344 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -12.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -150.672097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.672097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.672097 (E_RNA) where: Base-Base interactions energy: -93.226 where: short stacking energy: -58.483 Base-Backbone interact. energy: 0.309 local terms energy: -57.755862 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -10.861 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: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -163.054250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.054250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.054250 (E_RNA) where: Base-Base interactions energy: -99.126 where: short stacking energy: -63.233 Base-Backbone interact. energy: -0.007 local terms energy: -63.921594 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -10.635 flat angles P-C4'-P energy: -7.361 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: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -131.240636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.240636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.240636 (E_RNA) where: Base-Base interactions energy: -79.753 where: short stacking energy: -53.538 Base-Backbone interact. energy: -0.323 local terms energy: -51.164567 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -11.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -105.473605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.473605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.473605 (E_RNA) where: Base-Base interactions energy: -52.305 where: short stacking energy: -52.305 Base-Backbone interact. energy: -0.055 local terms energy: -53.113416 where: bonds (distance) C4'-P energy: -13.121 bonds (distance) P-C4' energy: -10.808 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -6.741 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: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -92.501777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.501777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.501777 (E_RNA) where: Base-Base interactions energy: -36.008 where: short stacking energy: -36.008 Base-Backbone interact. energy: -0.158 local terms energy: -56.336305 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -6.886 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: 150 Temperature: 1.200000 Total energy: -86.604224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.604224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.604224 (E_RNA) where: Base-Base interactions energy: -33.683 where: short stacking energy: -33.683 Base-Backbone interact. energy: -0.017 local terms energy: -52.904086 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -8.186 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: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -110.562411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.562411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.562411 (E_RNA) where: Base-Base interactions energy: -65.527 where: short stacking energy: -41.082 Base-Backbone interact. energy: -0.069 local terms energy: -44.965749 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -6.467 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -74.317450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.317450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.317450 (E_RNA) where: Base-Base interactions energy: -29.646 where: short stacking energy: -28.864 Base-Backbone interact. energy: 0.067 local terms energy: -44.738082 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -4.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -72.421329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.421329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.421329 (E_RNA) where: Base-Base interactions energy: -32.436 where: short stacking energy: -32.436 Base-Backbone interact. energy: -0.038 local terms energy: -39.948033 where: bonds (distance) C4'-P energy: -11.126 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -154.940871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.940871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.940871 (E_RNA) where: Base-Base interactions energy: -92.349 where: short stacking energy: -58.112 Base-Backbone interact. energy: -0.034 local terms energy: -62.557299 where: bonds (distance) C4'-P energy: -10.413 bonds (distance) P-C4' energy: -15.756 flat angles C4'-P-C4' energy: -13.633 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: -13.519 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: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -155.385454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.385454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.385454 (E_RNA) where: Base-Base interactions energy: -95.931 where: short stacking energy: -62.081 Base-Backbone interact. energy: -0.182 local terms energy: -59.272377 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -10.579 flat angles P-C4'-P energy: -8.001 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: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -128.006431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.006431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.006431 (E_RNA) where: Base-Base interactions energy: -78.022 where: short stacking energy: -39.570 Base-Backbone interact. energy: -0.736 local terms energy: -49.247560 where: bonds (distance) C4'-P energy: -9.697 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -6.155 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: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -147.418562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.418562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.418562 (E_RNA) where: Base-Base interactions energy: -88.592 where: short stacking energy: -49.789 Base-Backbone interact. energy: -0.261 local terms energy: -58.565717 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -12.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -115.510542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.510542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.510542 (E_RNA) where: Base-Base interactions energy: -60.747 where: short stacking energy: -52.616 Base-Backbone interact. energy: -0.000 local terms energy: -54.763324 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -92.476710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.476710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.476710 (E_RNA) where: Base-Base interactions energy: -48.614 where: short stacking energy: -48.614 Base-Backbone interact. energy: 1.367 local terms energy: -45.230005 where: bonds (distance) C4'-P energy: -9.738 bonds (distance) P-C4' energy: -12.448 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -6.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -83.585503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.585503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.585503 (E_RNA) where: Base-Base interactions energy: -29.636 where: short stacking energy: -29.535 Base-Backbone interact. energy: -0.236 local terms energy: -53.714076 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -12.106 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -83.548359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.548359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.548359 (E_RNA) where: Base-Base interactions energy: -39.538 where: short stacking energy: -37.564 Base-Backbone interact. energy: -0.119 local terms energy: -43.891754 where: bonds (distance) C4'-P energy: -11.304 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -7.684 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: 9, replica: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -75.593605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.593605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.593605 (E_RNA) where: Base-Base interactions energy: -27.813 where: short stacking energy: -17.029 Base-Backbone interact. energy: -0.100 local terms energy: -47.679918 where: bonds (distance) C4'-P energy: -14.396 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: 1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -75.047592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.047592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.047592 (E_RNA) where: Base-Base interactions energy: -31.651 where: short stacking energy: -28.801 Base-Backbone interact. energy: -0.048 local terms energy: -43.349128 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -9.754 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -170.550798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.550798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.550798 (E_RNA) where: Base-Base interactions energy: -106.207 where: short stacking energy: -68.062 Base-Backbone interact. energy: -0.149 local terms energy: -64.195351 where: bonds (distance) C4'-P energy: -10.437 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -10.845 tors. eta vs tors. theta energy: -17.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -150.901189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.901189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.901189 (E_RNA) where: Base-Base interactions energy: -86.791 where: short stacking energy: -59.778 Base-Backbone interact. energy: -0.196 local terms energy: -63.914951 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -10.402 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: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -167.894852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.894852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.894852 (E_RNA) where: Base-Base interactions energy: -103.847 where: short stacking energy: -67.059 Base-Backbone interact. energy: -0.001 local terms energy: -64.046338 where: bonds (distance) C4'-P energy: -11.385 bonds (distance) P-C4' energy: -9.420 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -12.461 tors. eta vs tors. theta energy: -17.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -135.733070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.733070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.733070 (E_RNA) where: Base-Base interactions energy: -82.084 where: short stacking energy: -49.335 Base-Backbone interact. energy: -0.075 local terms energy: -53.573945 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -7.929 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -10.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -102.010573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.010573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.010573 (E_RNA) where: Base-Base interactions energy: -47.976 where: short stacking energy: -46.933 Base-Backbone interact. energy: -0.187 local terms energy: -53.847469 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -10.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -94.524977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.524977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.524977 (E_RNA) where: Base-Base interactions energy: -51.411 where: short stacking energy: -46.561 Base-Backbone interact. energy: -0.195 local terms energy: -42.918825 where: bonds (distance) C4'-P energy: -8.289 bonds (distance) P-C4' energy: -10.141 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -94.891721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.891721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.891721 (E_RNA) where: Base-Base interactions energy: -44.377 where: short stacking energy: -39.394 Base-Backbone interact. energy: -0.154 local terms energy: -50.360532 where: bonds (distance) C4'-P energy: -14.425 bonds (distance) P-C4' energy: -8.156 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -11.017 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -84.731052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.731052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.731052 (E_RNA) where: Base-Base interactions energy: -39.989 where: short stacking energy: -35.688 Base-Backbone interact. energy: 0.308 local terms energy: -45.050436 where: bonds (distance) C4'-P energy: -9.453 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -76.068006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.068006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.068006 (E_RNA) where: Base-Base interactions energy: -26.540 where: short stacking energy: -26.540 Base-Backbone interact. energy: -0.272 local terms energy: -49.255573 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -77.843556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.843556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.843556 (E_RNA) where: Base-Base interactions energy: -28.775 where: short stacking energy: -28.775 Base-Backbone interact. energy: -0.104 local terms energy: -48.964306 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -7.363 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: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -164.816422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.816422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.816422 (E_RNA) where: Base-Base interactions energy: -98.837 where: short stacking energy: -63.524 Base-Backbone interact. energy: -0.006 local terms energy: -65.973994 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -17.684 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: 2 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -160.988777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.988777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.988777 (E_RNA) where: Base-Base interactions energy: -104.924 where: short stacking energy: -68.794 Base-Backbone interact. energy: 1.467 local terms energy: -57.531360 where: bonds (distance) C4'-P energy: -11.175 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -14.861 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: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -136.479901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.479901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.479901 (E_RNA) where: Base-Base interactions energy: -76.778 where: short stacking energy: -50.615 Base-Backbone interact. energy: -0.022 local terms energy: -59.679764 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -14.651 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -7.266 tors. eta vs tors. theta energy: -13.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -133.301632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.301632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.301632 (E_RNA) where: Base-Base interactions energy: -83.053 where: short stacking energy: -51.025 Base-Backbone interact. energy: 0.681 local terms energy: -50.929118 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -6.796 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: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -108.769212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.769212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.769212 (E_RNA) where: Base-Base interactions energy: -62.921 where: short stacking energy: -33.778 Base-Backbone interact. energy: -0.028 local terms energy: -45.820533 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -5.464 tors. eta vs tors. theta energy: -3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -96.749620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.749620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.749620 (E_RNA) where: Base-Base interactions energy: -43.323 where: short stacking energy: -42.989 Base-Backbone interact. energy: -0.051 local terms energy: -53.375599 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -7.316 tors. eta vs tors. theta energy: -12.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -90.817261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.817261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.817261 (E_RNA) where: Base-Base interactions energy: -45.822 where: short stacking energy: -30.091 Base-Backbone interact. energy: -0.063 local terms energy: -44.932918 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -9.982 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -81.297844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.297844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.297844 (E_RNA) where: Base-Base interactions energy: -41.929 where: short stacking energy: -29.744 Base-Backbone interact. energy: -0.149 local terms energy: -39.220183 where: bonds (distance) C4'-P energy: -11.478 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -11.794 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -83.002772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.002772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.002772 (E_RNA) where: Base-Base interactions energy: -41.925 where: short stacking energy: -41.925 Base-Backbone interact. energy: 2.352 local terms energy: -43.429459 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -78.719770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.719770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.719770 (E_RNA) where: Base-Base interactions energy: -27.338 where: short stacking energy: -24.929 Base-Backbone interact. energy: -0.025 local terms energy: -51.357080 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -166.004312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.004312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.004312 (E_RNA) where: Base-Base interactions energy: -98.895 where: short stacking energy: -62.221 Base-Backbone interact. energy: -0.032 local terms energy: -67.077355 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -16.942 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: 2 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -143.380140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.380140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.380140 (E_RNA) where: Base-Base interactions energy: -84.213 where: short stacking energy: -47.689 Base-Backbone interact. energy: -1.123 local terms energy: -58.044705 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -13.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -142.843548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.843548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.843548 (E_RNA) where: Base-Base interactions energy: -84.170 where: short stacking energy: -55.124 Base-Backbone interact. energy: -0.002 local terms energy: -58.672044 where: bonds (distance) C4'-P energy: -11.577 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -10.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -126.787997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.787997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.787997 (E_RNA) where: Base-Base interactions energy: -77.195 where: short stacking energy: -45.656 Base-Backbone interact. energy: -0.021 local terms energy: -49.572088 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -128.302282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.302282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.302282 (E_RNA) where: Base-Base interactions energy: -74.481 where: short stacking energy: -43.582 Base-Backbone interact. energy: -0.095 local terms energy: -53.726484 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -10.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -102.870687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.870687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.870687 (E_RNA) where: Base-Base interactions energy: -51.179 where: short stacking energy: -42.824 Base-Backbone interact. energy: -0.009 local terms energy: -51.682881 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -10.529 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -7.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -94.465997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.465997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.465997 (E_RNA) where: Base-Base interactions energy: -46.917 where: short stacking energy: -40.128 Base-Backbone interact. energy: -1.451 local terms energy: -46.097251 where: bonds (distance) C4'-P energy: -7.329 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -11.856 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -73.035103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.035103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.035103 (E_RNA) where: Base-Base interactions energy: -37.993 where: short stacking energy: -25.670 Base-Backbone interact. energy: -0.380 local terms energy: -34.662704 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: 0.783 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: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -82.939171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.939171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.939171 (E_RNA) where: Base-Base interactions energy: -32.931 where: short stacking energy: -32.931 Base-Backbone interact. energy: -0.175 local terms energy: -49.832728 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -9.049 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -7.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -75.239662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.239662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.239662 (E_RNA) where: Base-Base interactions energy: -29.433 where: short stacking energy: -29.433 Base-Backbone interact. energy: -0.005 local terms energy: -45.801200 where: bonds (distance) C4'-P energy: -8.410 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -158.634114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.634114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.634114 (E_RNA) where: Base-Base interactions energy: -95.842 where: short stacking energy: -55.922 Base-Backbone interact. energy: -0.602 local terms energy: -62.189660 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -13.766 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -12.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -143.675259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.675259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.675259 (E_RNA) where: Base-Base interactions energy: -91.730 where: short stacking energy: -51.717 Base-Backbone interact. energy: -0.226 local terms energy: -51.718811 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -9.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -162.049819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.049819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.049819 (E_RNA) where: Base-Base interactions energy: -95.396 where: short stacking energy: -55.133 Base-Backbone interact. energy: -0.002 local terms energy: -66.651628 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -16.577 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: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -134.702316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.702316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.702316 (E_RNA) where: Base-Base interactions energy: -76.631 where: short stacking energy: -43.703 Base-Backbone interact. energy: -0.029 local terms energy: -58.042877 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -10.529 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -8.201 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: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -137.314687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.314687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.314687 (E_RNA) where: Base-Base interactions energy: -84.143 where: short stacking energy: -48.855 Base-Backbone interact. energy: -0.005 local terms energy: -53.166200 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -11.399 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -8.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -87.108313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.108313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.108313 (E_RNA) where: Base-Base interactions energy: -32.256 where: short stacking energy: -28.222 Base-Backbone interact. energy: -0.068 local terms energy: -54.784594 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -89.460161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.460161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.460161 (E_RNA) where: Base-Base interactions energy: -43.075 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.641 local terms energy: -45.743824 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: 2.602 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: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -83.039839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.039839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.039839 (E_RNA) where: Base-Base interactions energy: -32.731 where: short stacking energy: -30.237 Base-Backbone interact. energy: -0.534 local terms energy: -49.775334 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -11.134 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -78.924095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.924095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.924095 (E_RNA) where: Base-Base interactions energy: -32.563 where: short stacking energy: -32.563 Base-Backbone interact. energy: -0.242 local terms energy: -46.118995 where: bonds (distance) C4'-P energy: -8.762 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -84.390583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.390583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.390583 (E_RNA) where: Base-Base interactions energy: -36.857 where: short stacking energy: -35.805 Base-Backbone interact. energy: -0.354 local terms energy: -47.179895 where: bonds (distance) C4'-P energy: -8.183 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -157.909809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.909809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.909809 (E_RNA) where: Base-Base interactions energy: -89.670 where: short stacking energy: -61.051 Base-Backbone interact. energy: -0.174 local terms energy: -68.065163 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -16.158 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: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -162.608466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.608466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.608466 (E_RNA) where: Base-Base interactions energy: -96.624 where: short stacking energy: -64.254 Base-Backbone interact. energy: -0.048 local terms energy: -65.936525 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -15.608 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -165.181551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.181551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.181551 (E_RNA) where: Base-Base interactions energy: -98.893 where: short stacking energy: -58.804 Base-Backbone interact. energy: -0.521 local terms energy: -65.767556 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -12.131 tors. eta vs tors. theta energy: -16.397 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: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -144.083890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.083890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.083890 (E_RNA) where: Base-Base interactions energy: -83.371 where: short stacking energy: -54.177 Base-Backbone interact. energy: -0.052 local terms energy: -60.661148 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -12.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -137.303927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.303927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.303927 (E_RNA) where: Base-Base interactions energy: -79.376 where: short stacking energy: -48.957 Base-Backbone interact. energy: -0.012 local terms energy: -57.915498 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -10.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -90.602895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.602895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.602895 (E_RNA) where: Base-Base interactions energy: -43.925 where: short stacking energy: -43.484 Base-Backbone interact. energy: -0.104 local terms energy: -46.573953 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -10.606 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -5.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -79.037928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.037928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.037928 (E_RNA) where: Base-Base interactions energy: -34.764 where: short stacking energy: -29.688 Base-Backbone interact. energy: -1.063 local terms energy: -43.210540 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -2.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -84.121947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.121947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.121947 (E_RNA) where: Base-Base interactions energy: -43.174 where: short stacking energy: -27.332 Base-Backbone interact. energy: 0.923 local terms energy: -41.870485 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -72.682327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.682327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.682327 (E_RNA) where: Base-Base interactions energy: -26.887 where: short stacking energy: -26.887 Base-Backbone interact. energy: -0.006 local terms energy: -45.789690 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -81.786282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.786282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.786282 (E_RNA) where: Base-Base interactions energy: -37.536 where: short stacking energy: -36.626 Base-Backbone interact. energy: -0.067 local terms energy: -44.183073 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -13.823 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -172.821640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.821640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.821640 (E_RNA) where: Base-Base interactions energy: -102.948 where: short stacking energy: -69.054 Base-Backbone interact. energy: -0.001 local terms energy: -69.873051 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -18.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -170.373365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.373365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.373365 (E_RNA) where: Base-Base interactions energy: -101.789 where: short stacking energy: -63.873 Base-Backbone interact. energy: 0.420 local terms energy: -69.004842 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -15.964 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: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -140.552593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.552593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.552593 (E_RNA) where: Base-Base interactions energy: -82.441 where: short stacking energy: -50.906 Base-Backbone interact. energy: -0.019 local terms energy: -58.092651 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -9.031 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: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -151.871450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.871450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.871450 (E_RNA) where: Base-Base interactions energy: -96.465 where: short stacking energy: -58.630 Base-Backbone interact. energy: -0.212 local terms energy: -55.195039 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -10.520 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -13.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -131.130056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.130056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.130056 (E_RNA) where: Base-Base interactions energy: -84.106 where: short stacking energy: -50.202 Base-Backbone interact. energy: 1.280 local terms energy: -48.303402 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -10.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -103.376466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.376466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.376466 (E_RNA) where: Base-Base interactions energy: -46.976 where: short stacking energy: -42.846 Base-Backbone interact. energy: -1.606 local terms energy: -54.794090 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -13.876 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -90.185218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.185218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.185218 (E_RNA) where: Base-Base interactions energy: -38.864 where: short stacking energy: -38.864 Base-Backbone interact. energy: -0.177 local terms energy: -51.145000 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -11.788 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -9.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -91.107413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.107413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.107413 (E_RNA) where: Base-Base interactions energy: -41.101 where: short stacking energy: -27.489 Base-Backbone interact. energy: -0.026 local terms energy: -49.981246 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -70.824185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.824185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.824185 (E_RNA) where: Base-Base interactions energy: -34.638 where: short stacking energy: -30.230 Base-Backbone interact. energy: -1.178 local terms energy: -35.008042 where: bonds (distance) C4'-P energy: -14.033 bonds (distance) P-C4' energy: -13.097 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: 0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -79.427679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.427679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.427679 (E_RNA) where: Base-Base interactions energy: -36.758 where: short stacking energy: -28.260 Base-Backbone interact. energy: 0.140 local terms energy: -42.809676 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -11.038 flat angles C4'-P-C4' energy: -9.774 flat angles P-C4'-P energy: -7.768 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -164.256094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.256094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.256094 (E_RNA) where: Base-Base interactions energy: -101.385 where: short stacking energy: -65.065 Base-Backbone interact. energy: -0.003 local terms energy: -62.868577 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -15.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -153.979337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.979337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.979337 (E_RNA) where: Base-Base interactions energy: -96.104 where: short stacking energy: -57.531 Base-Backbone interact. energy: -0.226 local terms energy: -57.649019 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -10.746 flat angles P-C4'-P energy: -8.187 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: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -139.746446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.746446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.746446 (E_RNA) where: Base-Base interactions energy: -85.179 where: short stacking energy: -52.687 Base-Backbone interact. energy: -0.704 local terms energy: -53.863442 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -10.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -133.122068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.122068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.122068 (E_RNA) where: Base-Base interactions energy: -81.812 where: short stacking energy: -55.196 Base-Backbone interact. energy: -0.011 local terms energy: -51.298963 where: bonds (distance) C4'-P energy: -10.360 bonds (distance) P-C4' energy: -7.763 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -9.914 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: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -126.677655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.677655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.677655 (E_RNA) where: Base-Base interactions energy: -74.821 where: short stacking energy: -43.142 Base-Backbone interact. energy: 0.186 local terms energy: -52.042341 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -9.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -100.640419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.640419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.640419 (E_RNA) where: Base-Base interactions energy: -57.527 where: short stacking energy: -49.411 Base-Backbone interact. energy: -0.016 local terms energy: -43.097546 where: bonds (distance) C4'-P energy: -7.525 bonds (distance) P-C4' energy: -11.272 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -7.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -87.486148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.486148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.486148 (E_RNA) where: Base-Base interactions energy: -42.418 where: short stacking energy: -39.414 Base-Backbone interact. energy: -0.430 local terms energy: -44.637952 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -10.016 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -9.437 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: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -77.936693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.936693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.936693 (E_RNA) where: Base-Base interactions energy: -30.506 where: short stacking energy: -30.506 Base-Backbone interact. energy: -0.068 local terms energy: -47.362741 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -10.124 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -77.044200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.044200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.044200 (E_RNA) where: Base-Base interactions energy: -25.973 where: short stacking energy: -23.579 Base-Backbone interact. energy: -0.010 local terms energy: -51.061280 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -7.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -80.165886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.165886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.165886 (E_RNA) where: Base-Base interactions energy: -34.504 where: short stacking energy: -32.835 Base-Backbone interact. energy: -0.075 local terms energy: -45.587394 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -9.504 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -7.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -158.350484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.350484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.350484 (E_RNA) where: Base-Base interactions energy: -91.163 where: short stacking energy: -60.241 Base-Backbone interact. energy: -0.153 local terms energy: -67.033768 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -10.759 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: 2, replica: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -148.771861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.771861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.771861 (E_RNA) where: Base-Base interactions energy: -90.195 where: short stacking energy: -58.892 Base-Backbone interact. energy: -0.014 local terms energy: -58.563108 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -11.758 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -10.865 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: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -146.868162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.868162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.868162 (E_RNA) where: Base-Base interactions energy: -83.511 where: short stacking energy: -50.881 Base-Backbone interact. energy: -0.015 local terms energy: -63.342581 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -14.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -130.412608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.412608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.412608 (E_RNA) where: Base-Base interactions energy: -72.776 where: short stacking energy: -49.677 Base-Backbone interact. energy: 0.359 local terms energy: -57.996018 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -8.969 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: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -132.285742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.285742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.285742 (E_RNA) where: Base-Base interactions energy: -73.434 where: short stacking energy: -43.905 Base-Backbone interact. energy: 0.616 local terms energy: -59.467749 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -9.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -102.040640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.040640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.040640 (E_RNA) where: Base-Base interactions energy: -50.914 where: short stacking energy: -49.047 Base-Backbone interact. energy: -0.024 local terms energy: -51.102381 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -9.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -86.127305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.127305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.127305 (E_RNA) where: Base-Base interactions energy: -34.719 where: short stacking energy: -34.719 Base-Backbone interact. energy: -0.245 local terms energy: -51.163834 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -78.952426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.952426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.952426 (E_RNA) where: Base-Base interactions energy: -33.955 where: short stacking energy: -33.955 Base-Backbone interact. energy: -0.102 local terms energy: -44.895208 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -9.637 flat angles P-C4'-P energy: -0.599 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -75.707238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.707238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.707238 (E_RNA) where: Base-Base interactions energy: -38.815 where: short stacking energy: -26.155 Base-Backbone interact. energy: -0.077 local terms energy: -36.814651 where: bonds (distance) C4'-P energy: -8.655 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -76.468320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.468320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.468320 (E_RNA) where: Base-Base interactions energy: -31.347 where: short stacking energy: -26.489 Base-Backbone interact. energy: -0.019 local terms energy: -45.103172 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -11.634 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -154.389889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.389889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.389889 (E_RNA) where: Base-Base interactions energy: -91.968 where: short stacking energy: -59.303 Base-Backbone interact. energy: -0.140 local terms energy: -62.281871 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -150.115974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.115974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.115974 (E_RNA) where: Base-Base interactions energy: -94.553 where: short stacking energy: -59.418 Base-Backbone interact. energy: -0.117 local terms energy: -55.445576 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -5.156 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: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -162.688785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.688785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.688785 (E_RNA) where: Base-Base interactions energy: -102.977 where: short stacking energy: -59.535 Base-Backbone interact. energy: -0.001 local terms energy: -59.710922 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -14.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -146.544236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.544236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.544236 (E_RNA) where: Base-Base interactions energy: -84.221 where: short stacking energy: -60.710 Base-Backbone interact. energy: -0.046 local terms energy: -62.277253 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -13.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -122.014872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.014872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.014872 (E_RNA) where: Base-Base interactions energy: -70.177 where: short stacking energy: -37.200 Base-Backbone interact. energy: -0.012 local terms energy: -51.826451 where: bonds (distance) C4'-P energy: -11.884 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -7.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -102.536568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.536568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.536568 (E_RNA) where: Base-Base interactions energy: -46.737 where: short stacking energy: -43.192 Base-Backbone interact. energy: 1.218 local terms energy: -57.018213 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -15.490 flat angles C4'-P-C4' energy: -10.427 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -9.335 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: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -116.930069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.930069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.930069 (E_RNA) where: Base-Base interactions energy: -68.042 where: short stacking energy: -32.670 Base-Backbone interact. energy: -0.009 local terms energy: -48.879131 where: bonds (distance) C4'-P energy: -7.702 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -7.827 tors. eta vs tors. theta energy: -6.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -90.250700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.250700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.250700 (E_RNA) where: Base-Base interactions energy: -43.845 where: short stacking energy: -36.299 Base-Backbone interact. energy: 0.827 local terms energy: -47.233272 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -9.949 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -11.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -77.931690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.931690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.931690 (E_RNA) where: Base-Base interactions energy: -32.778 where: short stacking energy: -29.728 Base-Backbone interact. energy: -0.065 local terms energy: -45.087948 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -9.788 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -7.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -95.277576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.277576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.277576 (E_RNA) where: Base-Base interactions energy: -50.202 where: short stacking energy: -26.927 Base-Backbone interact. energy: -0.038 local terms energy: -45.038395 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -5.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -155.553474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.553474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.553474 (E_RNA) where: Base-Base interactions energy: -90.437 where: short stacking energy: -62.085 Base-Backbone interact. energy: -0.008 local terms energy: -65.109042 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -13.688 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: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -155.120001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.120001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.120001 (E_RNA) where: Base-Base interactions energy: -93.391 where: short stacking energy: -46.440 Base-Backbone interact. energy: -0.046 local terms energy: -61.682607 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -11.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -141.296201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.296201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.296201 (E_RNA) where: Base-Base interactions energy: -84.495 where: short stacking energy: -49.900 Base-Backbone interact. energy: -0.113 local terms energy: -56.688780 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -9.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -132.649469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.649469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.649469 (E_RNA) where: Base-Base interactions energy: -78.187 where: short stacking energy: -48.437 Base-Backbone interact. energy: -0.095 local terms energy: -54.367407 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -12.638 flat angles C4'-P-C4' energy: -13.802 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -8.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -135.121315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.121315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.121315 (E_RNA) where: Base-Base interactions energy: -72.773 where: short stacking energy: -46.053 Base-Backbone interact. energy: -0.090 local terms energy: -62.258697 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -13.889 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: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -132.868976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.868976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.868976 (E_RNA) where: Base-Base interactions energy: -76.705 where: short stacking energy: -45.727 Base-Backbone interact. energy: -0.004 local terms energy: -56.159799 where: bonds (distance) C4'-P energy: -12.609 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -7.232 tors. eta vs tors. theta energy: -9.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -94.933606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.933606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.933606 (E_RNA) where: Base-Base interactions energy: -48.743 where: short stacking energy: -48.642 Base-Backbone interact. energy: -0.168 local terms energy: -46.022884 where: bonds (distance) C4'-P energy: -9.163 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -11.641 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -117.622805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.622805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.622805 (E_RNA) where: Base-Base interactions energy: -70.248 where: short stacking energy: -42.373 Base-Backbone interact. energy: 0.583 local terms energy: -47.958202 where: bonds (distance) C4'-P energy: -9.135 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -13.214 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -6.984 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: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -80.760459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.760459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.760459 (E_RNA) where: Base-Base interactions energy: -36.280 where: short stacking energy: -33.094 Base-Backbone interact. energy: -0.161 local terms energy: -44.319758 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -11.688 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -5.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -92.614788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.614788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.614788 (E_RNA) where: Base-Base interactions energy: -58.839 where: short stacking energy: -31.888 Base-Backbone interact. energy: -0.108 local terms energy: -33.668107 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: 0.382 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -158.940920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.940920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.940920 (E_RNA) where: Base-Base interactions energy: -98.529 where: short stacking energy: -63.142 Base-Backbone interact. energy: -0.006 local terms energy: -60.406112 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -13.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -155.672082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.672082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.672082 (E_RNA) where: Base-Base interactions energy: -90.886 where: short stacking energy: -58.631 Base-Backbone interact. energy: -1.325 local terms energy: -63.461398 where: bonds (distance) C4'-P energy: -10.514 bonds (distance) P-C4' energy: -12.466 flat angles C4'-P-C4' energy: -14.431 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -15.679 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: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -124.868236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.868236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.868236 (E_RNA) where: Base-Base interactions energy: -67.052 where: short stacking energy: -36.313 Base-Backbone interact. energy: -1.388 local terms energy: -56.427694 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -5.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -137.959514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.959514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.959514 (E_RNA) where: Base-Base interactions energy: -86.925 where: short stacking energy: -56.001 Base-Backbone interact. energy: -0.189 local terms energy: -50.845054 where: bonds (distance) C4'-P energy: -8.349 bonds (distance) P-C4' energy: -11.191 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -7.029 tors. eta vs tors. theta energy: -12.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -137.117593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.117593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.117593 (E_RNA) where: Base-Base interactions energy: -80.708 where: short stacking energy: -46.116 Base-Backbone interact. energy: -0.082 local terms energy: -56.327757 where: bonds (distance) C4'-P energy: -15.543 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -11.918 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: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -115.655918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.655918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.655918 (E_RNA) where: Base-Base interactions energy: -62.463 where: short stacking energy: -37.115 Base-Backbone interact. energy: -0.182 local terms energy: -53.011073 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -114.350708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.350708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.350708 (E_RNA) where: Base-Base interactions energy: -66.917 where: short stacking energy: -39.802 Base-Backbone interact. energy: -0.076 local terms energy: -47.357196 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -93.133950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.133950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.133950 (E_RNA) where: Base-Base interactions energy: -42.010 where: short stacking energy: -38.282 Base-Backbone interact. energy: -0.877 local terms energy: -50.246722 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -10.889 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -7.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -82.910562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.910562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.910562 (E_RNA) where: Base-Base interactions energy: -39.919 where: short stacking energy: -39.919 Base-Backbone interact. energy: -0.013 local terms energy: -42.978583 where: bonds (distance) C4'-P energy: -8.414 bonds (distance) P-C4' energy: -10.011 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -5.224 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -74.087871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.087871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.087871 (E_RNA) where: Base-Base interactions energy: -25.289 where: short stacking energy: -24.121 Base-Backbone interact. energy: -0.019 local terms energy: -48.780336 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -11.096 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -6.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -157.758295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.758295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.758295 (E_RNA) where: Base-Base interactions energy: -96.745 where: short stacking energy: -57.573 Base-Backbone interact. energy: -0.061 local terms energy: -60.952032 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -13.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -157.162976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.162976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.162976 (E_RNA) where: Base-Base interactions energy: -95.198 where: short stacking energy: -53.338 Base-Backbone interact. energy: -0.018 local terms energy: -61.946641 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -13.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -144.867134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.867134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.867134 (E_RNA) where: Base-Base interactions energy: -88.093 where: short stacking energy: -48.296 Base-Backbone interact. energy: 0.876 local terms energy: -57.650837 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -7.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -145.178792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.178792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.178792 (E_RNA) where: Base-Base interactions energy: -90.566 where: short stacking energy: -58.061 Base-Backbone interact. energy: -0.003 local terms energy: -54.610566 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -9.765 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -11.752 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: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -132.794748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.794748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.794748 (E_RNA) where: Base-Base interactions energy: -78.377 where: short stacking energy: -47.797 Base-Backbone interact. energy: -0.103 local terms energy: -54.315198 where: bonds (distance) C4'-P energy: -11.955 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -10.024 flat angles P-C4'-P energy: -5.301 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: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -125.728162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.728162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.728162 (E_RNA) where: Base-Base interactions energy: -70.128 where: short stacking energy: -40.867 Base-Backbone interact. energy: -0.004 local terms energy: -55.595897 where: bonds (distance) C4'-P energy: -13.464 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -2.820 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: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -105.592656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.592656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.592656 (E_RNA) where: Base-Base interactions energy: -62.095 where: short stacking energy: -53.979 Base-Backbone interact. energy: -0.085 local terms energy: -43.412161 where: bonds (distance) C4'-P energy: -11.035 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -87.523166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.523166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.523166 (E_RNA) where: Base-Base interactions energy: -43.361 where: short stacking energy: -29.606 Base-Backbone interact. energy: -0.069 local terms energy: -44.093680 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -10.322 flat angles C4'-P-C4' energy: -11.062 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -3.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -80.526310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.526310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.526310 (E_RNA) where: Base-Base interactions energy: -32.455 where: short stacking energy: -32.455 Base-Backbone interact. energy: -0.048 local terms energy: -48.023351 where: bonds (distance) C4'-P energy: -8.144 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -10.252 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -8.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -77.833949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.833949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.833949 (E_RNA) where: Base-Base interactions energy: -30.085 where: short stacking energy: -30.085 Base-Backbone interact. energy: -0.074 local terms energy: -47.675398 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -7.064 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -167.511354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.511354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.511354 (E_RNA) where: Base-Base interactions energy: -103.730 where: short stacking energy: -61.892 Base-Backbone interact. energy: -0.003 local terms energy: -63.778459 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -11.855 flat angles P-C4'-P energy: -10.287 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: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -158.636785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.636785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.636785 (E_RNA) where: Base-Base interactions energy: -91.163 where: short stacking energy: -51.537 Base-Backbone interact. energy: -0.459 local terms energy: -67.014565 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -15.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -149.114909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.114909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.114909 (E_RNA) where: Base-Base interactions energy: -91.425 where: short stacking energy: -54.398 Base-Backbone interact. energy: -0.001 local terms energy: -57.688452 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -10.280 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -133.786312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.786312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.786312 (E_RNA) where: Base-Base interactions energy: -78.160 where: short stacking energy: -49.521 Base-Backbone interact. energy: -0.281 local terms energy: -55.345985 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -12.925 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: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -134.881478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.881478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.881478 (E_RNA) where: Base-Base interactions energy: -75.497 where: short stacking energy: -40.040 Base-Backbone interact. energy: -0.001 local terms energy: -59.383935 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -13.608 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -12.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -120.011793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.011793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.011793 (E_RNA) where: Base-Base interactions energy: -77.232 where: short stacking energy: -48.650 Base-Backbone interact. energy: 0.060 local terms energy: -42.840353 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -9.270 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -9.037 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: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -92.360893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.360893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.360893 (E_RNA) where: Base-Base interactions energy: -42.980 where: short stacking energy: -42.980 Base-Backbone interact. energy: -0.024 local terms energy: -49.356796 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -80.827362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.827362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.827362 (E_RNA) where: Base-Base interactions energy: -32.977 where: short stacking energy: -32.231 Base-Backbone interact. energy: -0.794 local terms energy: -47.056214 where: bonds (distance) C4'-P energy: -10.242 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -5.143 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: 164 Temperature: 1.300000 Total energy: -81.247690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.247690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.247690 (E_RNA) where: Base-Base interactions energy: -37.843 where: short stacking energy: -37.843 Base-Backbone interact. energy: -0.105 local terms energy: -43.299187 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -0.367 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -71.759856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.759856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.759856 (E_RNA) where: Base-Base interactions energy: -25.711 where: short stacking energy: -25.711 Base-Backbone interact. energy: -0.050 local terms energy: -45.998626 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -157.658945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.658945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.658945 (E_RNA) where: Base-Base interactions energy: -95.634 where: short stacking energy: -63.746 Base-Backbone interact. energy: -0.001 local terms energy: -62.024491 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -145.050605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.050605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.050605 (E_RNA) where: Base-Base interactions energy: -86.772 where: short stacking energy: -55.609 Base-Backbone interact. energy: -0.007 local terms energy: -58.271128 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -11.693 flat angles P-C4'-P energy: -10.716 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: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -156.105208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.105208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.105208 (E_RNA) where: Base-Base interactions energy: -91.792 where: short stacking energy: -57.578 Base-Backbone interact. energy: -0.013 local terms energy: -64.299946 where: bonds (distance) C4'-P energy: -9.450 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -17.029 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: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -132.630738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.630738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.630738 (E_RNA) where: Base-Base interactions energy: -75.814 where: short stacking energy: -46.016 Base-Backbone interact. energy: -0.001 local terms energy: -56.815602 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -11.267 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -13.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -139.400777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.400777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.400777 (E_RNA) where: Base-Base interactions energy: -82.693 where: short stacking energy: -50.891 Base-Backbone interact. energy: -1.019 local terms energy: -55.688072 where: bonds (distance) C4'-P energy: -13.994 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -4.734 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: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -130.813833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.813833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.813833 (E_RNA) where: Base-Base interactions energy: -83.243 where: short stacking energy: -39.707 Base-Backbone interact. energy: -1.255 local terms energy: -46.316461 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -6.456 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -123.486094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.486094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.486094 (E_RNA) where: Base-Base interactions energy: -76.886 where: short stacking energy: -44.163 Base-Backbone interact. energy: 0.755 local terms energy: -47.355581 where: bonds (distance) C4'-P energy: -9.975 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -8.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -75.887632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.887632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.887632 (E_RNA) where: Base-Base interactions energy: -34.536 where: short stacking energy: -32.767 Base-Backbone interact. energy: -0.061 local terms energy: -41.291044 where: bonds (distance) C4'-P energy: -9.946 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -8.289 tors. eta vs tors. theta energy: -2.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -75.626074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.626074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.626074 (E_RNA) where: Base-Base interactions energy: -30.215 where: short stacking energy: -26.840 Base-Backbone interact. energy: -0.109 local terms energy: -45.302166 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -9.007 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -71.361200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.361200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.361200 (E_RNA) where: Base-Base interactions energy: -29.061 where: short stacking energy: -29.061 Base-Backbone interact. energy: -0.168 local terms energy: -42.132615 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -8.128 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -150.320253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.320253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.320253 (E_RNA) where: Base-Base interactions energy: -94.444 where: short stacking energy: -57.473 Base-Backbone interact. energy: -0.003 local terms energy: -55.873063 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -11.396 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -13.674 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: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -152.877039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.877039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.877039 (E_RNA) where: Base-Base interactions energy: -92.167 where: short stacking energy: -60.669 Base-Backbone interact. energy: -0.372 local terms energy: -60.337204 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -16.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -149.300728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.300728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.300728 (E_RNA) where: Base-Base interactions energy: -91.577 where: short stacking energy: -53.563 Base-Backbone interact. energy: -0.002 local terms energy: -57.722070 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -10.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -133.710013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.710013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.710013 (E_RNA) where: Base-Base interactions energy: -81.956 where: short stacking energy: -52.973 Base-Backbone interact. energy: -0.496 local terms energy: -51.257987 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -2.656 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: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -130.230971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.230971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.230971 (E_RNA) where: Base-Base interactions energy: -72.628 where: short stacking energy: -42.678 Base-Backbone interact. energy: -0.673 local terms energy: -56.929994 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -5.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -124.313511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.313511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.313511 (E_RNA) where: Base-Base interactions energy: -72.177 where: short stacking energy: -42.375 Base-Backbone interact. energy: -0.048 local terms energy: -52.088974 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -8.694 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: 166 Temperature: 1.200000 Total energy: -89.713926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.713926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.713926 (E_RNA) where: Base-Base interactions energy: -37.743 where: short stacking energy: -35.319 Base-Backbone interact. energy: -0.344 local terms energy: -51.626801 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -133.595709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.595709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.595709 (E_RNA) where: Base-Base interactions energy: -74.121 where: short stacking energy: -43.820 Base-Backbone interact. energy: -0.019 local terms energy: -59.455445 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -9.438 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: 7 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -89.569984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.569984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.569984 (E_RNA) where: Base-Base interactions energy: -44.374 where: short stacking energy: -30.369 Base-Backbone interact. energy: -0.120 local terms energy: -45.076470 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -6.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -78.568696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.568696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.568696 (E_RNA) where: Base-Base interactions energy: -33.638 where: short stacking energy: -33.638 Base-Backbone interact. energy: -0.147 local terms energy: -44.783493 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -158.306876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.306876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.306876 (E_RNA) where: Base-Base interactions energy: -91.865 where: short stacking energy: -60.772 Base-Backbone interact. energy: -0.126 local terms energy: -66.316662 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -16.051 flat angles P-C4'-P energy: -9.399 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: 2, replica: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -155.958328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.958328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.958328 (E_RNA) where: Base-Base interactions energy: -94.755 where: short stacking energy: -59.548 Base-Backbone interact. energy: -0.032 local terms energy: -61.171227 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -14.278 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: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -137.792131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.792131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.792131 (E_RNA) where: Base-Base interactions energy: -84.198 where: short stacking energy: -55.524 Base-Backbone interact. energy: -0.035 local terms energy: -53.559787 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -9.449 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -10.636 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: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -134.512282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.512282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.512282 (E_RNA) where: Base-Base interactions energy: -76.738 where: short stacking energy: -50.731 Base-Backbone interact. energy: 0.896 local terms energy: -58.669725 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -15.682 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -9.434 tors. eta vs tors. theta energy: -7.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -117.459517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.459517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.459517 (E_RNA) where: Base-Base interactions energy: -66.022 where: short stacking energy: -40.213 Base-Backbone interact. energy: -0.003 local terms energy: -51.434463 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -8.816 tors. eta vs tors. theta energy: -10.128 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: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -96.307122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.307122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.307122 (E_RNA) where: Base-Base interactions energy: -44.099 where: short stacking energy: -44.099 Base-Backbone interact. energy: -0.163 local terms energy: -52.045249 where: bonds (distance) C4'-P energy: -10.145 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -107.459054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.459054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.459054 (E_RNA) where: Base-Base interactions energy: -61.084 where: short stacking energy: -38.453 Base-Backbone interact. energy: 0.389 local terms energy: -46.764861 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -106.248034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.248034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.248034 (E_RNA) where: Base-Base interactions energy: -64.514 where: short stacking energy: -39.844 Base-Backbone interact. energy: -0.123 local terms energy: -41.610544 where: bonds (distance) C4'-P energy: -9.014 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -7.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -78.587325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.587325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.587325 (E_RNA) where: Base-Base interactions energy: -32.745 where: short stacking energy: -30.159 Base-Backbone interact. energy: -0.185 local terms energy: -45.656921 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -87.732678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.732678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.732678 (E_RNA) where: Base-Base interactions energy: -47.524 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.178 local terms energy: -40.030979 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -12.485 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -166.750715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.750715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.750715 (E_RNA) where: Base-Base interactions energy: -98.876 where: short stacking energy: -66.111 Base-Backbone interact. energy: -0.005 local terms energy: -67.869917 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -7.868 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: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -151.256186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.256186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.256186 (E_RNA) where: Base-Base interactions energy: -89.090 where: short stacking energy: -59.124 Base-Backbone interact. energy: -0.085 local terms energy: -62.081927 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -11.522 tors. eta vs tors. theta energy: -12.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -147.310288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.310288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.310288 (E_RNA) where: Base-Base interactions energy: -86.689 where: short stacking energy: -51.751 Base-Backbone interact. energy: -0.004 local terms energy: -60.618040 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -9.852 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: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -132.104896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.104896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.104896 (E_RNA) where: Base-Base interactions energy: -73.974 where: short stacking energy: -38.298 Base-Backbone interact. energy: -0.474 local terms energy: -57.657251 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -10.973 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -133.028860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.028860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.028860 (E_RNA) where: Base-Base interactions energy: -79.417 where: short stacking energy: -47.772 Base-Backbone interact. energy: -0.002 local terms energy: -53.610427 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -8.579 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: 6, replica: 8 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -88.267670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.267670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.267670 (E_RNA) where: Base-Base interactions energy: -37.206 where: short stacking energy: -33.963 Base-Backbone interact. energy: -0.172 local terms energy: -50.889659 where: bonds (distance) C4'-P energy: -9.631 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -8.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -114.241942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.241942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.241942 (E_RNA) where: Base-Base interactions energy: -61.218 where: short stacking energy: -35.445 Base-Backbone interact. energy: -0.010 local terms energy: -53.014795 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -9.943 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -84.175069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.175069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.175069 (E_RNA) where: Base-Base interactions energy: -33.685 where: short stacking energy: -32.936 Base-Backbone interact. energy: -0.022 local terms energy: -50.467402 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -79.649930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.649930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.649930 (E_RNA) where: Base-Base interactions energy: -43.879 where: short stacking energy: -29.345 Base-Backbone interact. energy: -0.121 local terms energy: -35.649431 where: bonds (distance) C4'-P energy: -10.301 bonds (distance) P-C4' energy: -10.316 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -3.964 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -73.596489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.596489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.596489 (E_RNA) where: Base-Base interactions energy: -31.719 where: short stacking energy: -30.288 Base-Backbone interact. energy: -0.134 local terms energy: -41.743035 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -7.698 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -163.002017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.002017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.002017 (E_RNA) where: Base-Base interactions energy: -100.857 where: short stacking energy: -63.627 Base-Backbone interact. energy: -0.005 local terms energy: -62.139617 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -7.183 tors. eta vs tors. theta energy: -17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -148.758426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.758426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.758426 (E_RNA) where: Base-Base interactions energy: -93.069 where: short stacking energy: -56.470 Base-Backbone interact. energy: -0.006 local terms energy: -55.682990 where: bonds (distance) C4'-P energy: -12.086 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -11.681 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: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -155.147789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.147789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.147789 (E_RNA) where: Base-Base interactions energy: -97.477 where: short stacking energy: -65.174 Base-Backbone interact. energy: -0.476 local terms energy: -57.194662 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -16.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -133.946254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.946254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.946254 (E_RNA) where: Base-Base interactions energy: -79.449 where: short stacking energy: -46.967 Base-Backbone interact. energy: -0.002 local terms energy: -54.495588 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -12.637 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -11.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -126.924080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.924080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.924080 (E_RNA) where: Base-Base interactions energy: -84.051 where: short stacking energy: -50.222 Base-Backbone interact. energy: -0.110 local terms energy: -42.763251 where: bonds (distance) C4'-P energy: -8.274 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -9.559 flat angles P-C4'-P energy: -7.808 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -124.746898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.746898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.746898 (E_RNA) where: Base-Base interactions energy: -70.955 where: short stacking energy: -41.808 Base-Backbone interact. energy: 0.511 local terms energy: -54.302955 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -12.118 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -83.934467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.934467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.934467 (E_RNA) where: Base-Base interactions energy: -36.625 where: short stacking energy: -36.625 Base-Backbone interact. energy: 0.161 local terms energy: -47.470286 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -10.912 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -84.139452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.139452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.139452 (E_RNA) where: Base-Base interactions energy: -35.914 where: short stacking energy: -35.914 Base-Backbone interact. energy: -0.016 local terms energy: -48.209541 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -5.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -75.926786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.926786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.926786 (E_RNA) where: Base-Base interactions energy: -37.929 where: short stacking energy: -37.929 Base-Backbone interact. energy: -1.125 local terms energy: -36.872327 where: bonds (distance) C4'-P energy: -7.089 bonds (distance) P-C4' energy: -11.130 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -78.746530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.746530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.746530 (E_RNA) where: Base-Base interactions energy: -38.048 where: short stacking energy: -38.048 Base-Backbone interact. energy: -0.163 local terms energy: -40.535123 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.857 flat angles C4'-P-C4' energy: -12.204 flat angles P-C4'-P energy: -6.468 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: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -162.785370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.785370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.785370 (E_RNA) where: Base-Base interactions energy: -97.601 where: short stacking energy: -61.130 Base-Backbone interact. energy: -0.043 local terms energy: -65.141491 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -12.537 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: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -153.302525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.302525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.302525 (E_RNA) where: Base-Base interactions energy: -96.009 where: short stacking energy: -62.331 Base-Backbone interact. energy: -0.084 local terms energy: -57.210086 where: bonds (distance) C4'-P energy: -15.729 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -11.212 flat angles P-C4'-P energy: -3.041 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -155.078270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.078270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.078270 (E_RNA) where: Base-Base interactions energy: -91.801 where: short stacking energy: -60.702 Base-Backbone interact. energy: -0.018 local terms energy: -63.259088 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -11.165 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -16.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -135.444097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.444097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.444097 (E_RNA) where: Base-Base interactions energy: -79.454 where: short stacking energy: -51.293 Base-Backbone interact. energy: -0.045 local terms energy: -55.945210 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -9.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -130.668678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.668678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.668678 (E_RNA) where: Base-Base interactions energy: -74.550 where: short stacking energy: -49.573 Base-Backbone interact. energy: -0.001 local terms energy: -56.117800 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -10.214 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -137.172298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.172298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.172298 (E_RNA) where: Base-Base interactions energy: -80.911 where: short stacking energy: -51.782 Base-Backbone interact. energy: -0.007 local terms energy: -56.253996 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -8.204 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -15.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -86.979331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.979331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.979331 (E_RNA) where: Base-Base interactions energy: -46.166 where: short stacking energy: -39.704 Base-Backbone interact. energy: -0.072 local terms energy: -40.740947 where: bonds (distance) C4'-P energy: -5.690 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -1.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -85.739757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.739757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.739757 (E_RNA) where: Base-Base interactions energy: -39.743 where: short stacking energy: -39.073 Base-Backbone interact. energy: -0.155 local terms energy: -45.841600 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -9.007 flat angles C4'-P-C4' energy: -14.835 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -3.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -77.794008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.794008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.794008 (E_RNA) where: Base-Base interactions energy: -36.303 where: short stacking energy: -26.997 Base-Backbone interact. energy: -0.232 local terms energy: -41.258769 where: bonds (distance) C4'-P energy: -9.850 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -4.476 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: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -66.576256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.576256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.576256 (E_RNA) where: Base-Base interactions energy: -26.255 where: short stacking energy: -26.255 Base-Backbone interact. energy: 0.180 local terms energy: -40.501631 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -8.631 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -148.385782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.385782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.385782 (E_RNA) where: Base-Base interactions energy: -89.841 where: short stacking energy: -44.442 Base-Backbone interact. energy: -0.189 local terms energy: -58.355575 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -145.860230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.860230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.860230 (E_RNA) where: Base-Base interactions energy: -87.050 where: short stacking energy: -58.460 Base-Backbone interact. energy: -0.614 local terms energy: -58.195459 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -9.753 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -12.015 tors. eta vs tors. theta energy: -13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -138.326825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.326825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.326825 (E_RNA) where: Base-Base interactions energy: -83.029 where: short stacking energy: -53.074 Base-Backbone interact. energy: -0.048 local terms energy: -55.249672 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -7.620 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: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -130.249475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.249475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.249475 (E_RNA) where: Base-Base interactions energy: -69.805 where: short stacking energy: -50.500 Base-Backbone interact. energy: -0.134 local terms energy: -60.309719 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -12.991 tors. eta vs tors. theta energy: -13.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -132.134209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.134209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.134209 (E_RNA) where: Base-Base interactions energy: -79.644 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.001 local terms energy: -52.489568 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -11.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -86.876207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.876207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.876207 (E_RNA) where: Base-Base interactions energy: -39.612 where: short stacking energy: -39.612 Base-Backbone interact. energy: -0.401 local terms energy: -46.863141 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -11.517 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -3.591 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: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -117.740490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.740490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.740490 (E_RNA) where: Base-Base interactions energy: -72.862 where: short stacking energy: -36.653 Base-Backbone interact. energy: -0.348 local terms energy: -44.530485 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -10.240 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -8.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -83.028989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.028989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.028989 (E_RNA) where: Base-Base interactions energy: -36.106 where: short stacking energy: -31.663 Base-Backbone interact. energy: -0.098 local terms energy: -46.824983 where: bonds (distance) C4'-P energy: -8.646 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -101.171962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.171962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.171962 (E_RNA) where: Base-Base interactions energy: -55.690 where: short stacking energy: -34.603 Base-Backbone interact. energy: -0.170 local terms energy: -45.311984 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -79.314470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.314470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.314470 (E_RNA) where: Base-Base interactions energy: -35.048 where: short stacking energy: -35.048 Base-Backbone interact. energy: 5.387 local terms energy: -49.653585 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -8.817 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -5.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -166.238781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.238781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.238781 (E_RNA) where: Base-Base interactions energy: -99.828 where: short stacking energy: -66.923 Base-Backbone interact. energy: -0.001 local terms energy: -66.409866 where: bonds (distance) C4'-P energy: -15.287 bonds (distance) P-C4' energy: -13.283 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -17.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -144.043704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.043704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.043704 (E_RNA) where: Base-Base interactions energy: -82.805 where: short stacking energy: -56.467 Base-Backbone interact. energy: -0.291 local terms energy: -60.947153 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -13.136 flat angles P-C4'-P energy: -7.335 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: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -137.904353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.904353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.904353 (E_RNA) where: Base-Base interactions energy: -81.776 where: short stacking energy: -56.447 Base-Backbone interact. energy: -0.073 local terms energy: -56.055216 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -9.335 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: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -134.395474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.395474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.395474 (E_RNA) where: Base-Base interactions energy: -76.101 where: short stacking energy: -55.851 Base-Backbone interact. energy: -0.113 local terms energy: -58.181350 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -9.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -139.045670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.045670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.045670 (E_RNA) where: Base-Base interactions energy: -87.746 where: short stacking energy: -48.659 Base-Backbone interact. energy: -0.284 local terms energy: -51.015800 where: bonds (distance) C4'-P energy: -9.677 bonds (distance) P-C4' energy: -7.258 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -11.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -104.051845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.051845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.051845 (E_RNA) where: Base-Base interactions energy: -60.220 where: short stacking energy: -42.293 Base-Backbone interact. energy: 0.557 local terms energy: -44.389124 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -10.331 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -87.041755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.041755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.041755 (E_RNA) where: Base-Base interactions energy: -34.264 where: short stacking energy: -34.264 Base-Backbone interact. energy: -0.108 local terms energy: -52.669723 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -10.895 flat angles P-C4'-P energy: -11.717 tors. eta vs tors. theta energy: -6.584 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: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -76.040928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.040928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.040928 (E_RNA) where: Base-Base interactions energy: -28.139 where: short stacking energy: -27.967 Base-Backbone interact. energy: -0.329 local terms energy: -47.572520 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -9.549 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -7.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -117.921344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.921344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.921344 (E_RNA) where: Base-Base interactions energy: -71.114 where: short stacking energy: -42.785 Base-Backbone interact. energy: -0.031 local terms energy: -46.776082 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -11.214 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -79.771689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.771689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.771689 (E_RNA) where: Base-Base interactions energy: -32.973 where: short stacking energy: -32.973 Base-Backbone interact. energy: -0.070 local terms energy: -46.728132 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -13.508 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -0.679 tors. eta vs tors. theta energy: -10.164 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: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -169.660734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.660734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.660734 (E_RNA) where: Base-Base interactions energy: -106.010 where: short stacking energy: -68.245 Base-Backbone interact. energy: 0.131 local terms energy: -63.780943 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -7.982 tors. eta vs tors. theta energy: -16.250 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: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -154.054669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.054669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.054669 (E_RNA) where: Base-Base interactions energy: -93.922 where: short stacking energy: -61.036 Base-Backbone interact. energy: -0.001 local terms energy: -60.131744 where: bonds (distance) C4'-P energy: -15.311 bonds (distance) P-C4' energy: -12.562 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -148.529853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.529853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.529853 (E_RNA) where: Base-Base interactions energy: -93.971 where: short stacking energy: -62.957 Base-Backbone interact. energy: -0.553 local terms energy: -54.005557 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -12.250 flat angles C4'-P-C4' energy: -10.113 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -16.577 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: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -139.722659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.722659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.722659 (E_RNA) where: Base-Base interactions energy: -85.215 where: short stacking energy: -57.374 Base-Backbone interact. energy: -0.468 local terms energy: -54.040126 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.631 flat angles C4'-P-C4' energy: -10.831 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -122.148156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.148156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.148156 (E_RNA) where: Base-Base interactions energy: -67.732 where: short stacking energy: -38.756 Base-Backbone interact. energy: -1.452 local terms energy: -52.963839 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -109.872369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.872369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.872369 (E_RNA) where: Base-Base interactions energy: -61.065 where: short stacking energy: -47.408 Base-Backbone interact. energy: 0.289 local terms energy: -49.096163 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -6.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -91.831531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.831531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.831531 (E_RNA) where: Base-Base interactions energy: -39.933 where: short stacking energy: -39.933 Base-Backbone interact. energy: -0.078 local terms energy: -51.821308 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -12.379 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -110.142735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.142735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.142735 (E_RNA) where: Base-Base interactions energy: -58.648 where: short stacking energy: -30.832 Base-Backbone interact. energy: -0.207 local terms energy: -51.287447 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -7.104 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: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -87.296757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.296757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.296757 (E_RNA) where: Base-Base interactions energy: -35.956 where: short stacking energy: -33.823 Base-Backbone interact. energy: -0.080 local terms energy: -51.261181 where: bonds (distance) C4'-P energy: -12.541 bonds (distance) P-C4' energy: -9.644 flat angles C4'-P-C4' energy: -12.033 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -6.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -80.066668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.066668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.066668 (E_RNA) where: Base-Base interactions energy: -31.377 where: short stacking energy: -26.248 Base-Backbone interact. energy: -0.153 local terms energy: -48.536543 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -155.720491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.720491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.720491 (E_RNA) where: Base-Base interactions energy: -97.504 where: short stacking energy: -58.580 Base-Backbone interact. energy: -0.002 local terms energy: -58.215085 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -17.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -160.145166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.145166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.145166 (E_RNA) where: Base-Base interactions energy: -92.058 where: short stacking energy: -62.446 Base-Backbone interact. energy: -0.000 local terms energy: -68.087472 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -11.660 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: 3, replica: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -142.859770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.859770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.859770 (E_RNA) where: Base-Base interactions energy: -79.232 where: short stacking energy: -48.172 Base-Backbone interact. energy: -0.218 local terms energy: -63.409844 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -11.463 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: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -138.469052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.469052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.469052 (E_RNA) where: Base-Base interactions energy: -88.583 where: short stacking energy: -57.733 Base-Backbone interact. energy: -0.004 local terms energy: -49.882191 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -10.623 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -12.507 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: 7 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -99.867091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.867091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.867091 (E_RNA) where: Base-Base interactions energy: -48.002 where: short stacking energy: -40.962 Base-Backbone interact. energy: -0.026 local terms energy: -51.839130 where: bonds (distance) C4'-P energy: -10.727 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -6.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -128.884981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.884981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.884981 (E_RNA) where: Base-Base interactions energy: -74.870 where: short stacking energy: -43.085 Base-Backbone interact. energy: 0.501 local terms energy: -54.515381 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -86.754487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.754487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.754487 (E_RNA) where: Base-Base interactions energy: -32.606 where: short stacking energy: -27.699 Base-Backbone interact. energy: -0.043 local terms energy: -54.105052 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -102.222554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.222554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.222554 (E_RNA) where: Base-Base interactions energy: -52.907 where: short stacking energy: -50.601 Base-Backbone interact. energy: -0.066 local terms energy: -49.249613 where: bonds (distance) C4'-P energy: -6.008 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.001 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -11.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -84.922330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.922330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.922330 (E_RNA) where: Base-Base interactions energy: -30.742 where: short stacking energy: -30.742 Base-Backbone interact. energy: -0.426 local terms energy: -53.754904 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -11.226 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: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -75.953840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.953840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.953840 (E_RNA) where: Base-Base interactions energy: -31.805 where: short stacking energy: -32.605 Base-Backbone interact. energy: -0.133 local terms energy: -44.016278 where: bonds (distance) C4'-P energy: -8.418 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -7.306 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -149.401853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.401853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.401853 (E_RNA) where: Base-Base interactions energy: -85.156 where: short stacking energy: -58.752 Base-Backbone interact. energy: -0.447 local terms energy: -63.798336 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -16.543 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -13.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -162.805523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.805523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.805523 (E_RNA) where: Base-Base interactions energy: -97.052 where: short stacking energy: -63.286 Base-Backbone interact. energy: -0.002 local terms energy: -65.752231 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -15.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -144.701547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.701547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.701547 (E_RNA) where: Base-Base interactions energy: -84.383 where: short stacking energy: -57.160 Base-Backbone interact. energy: -0.012 local terms energy: -60.306552 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -10.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -141.143959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.143959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.143959 (E_RNA) where: Base-Base interactions energy: -88.833 where: short stacking energy: -52.306 Base-Backbone interact. energy: -0.053 local terms energy: -52.258450 where: bonds (distance) C4'-P energy: -7.598 bonds (distance) P-C4' energy: -10.920 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -98.517466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.517466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.517466 (E_RNA) where: Base-Base interactions energy: -42.539 where: short stacking energy: -42.539 Base-Backbone interact. energy: -0.160 local terms energy: -55.818635 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -15.116 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -9.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -125.011674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.011674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.011674 (E_RNA) where: Base-Base interactions energy: -72.577 where: short stacking energy: -48.379 Base-Backbone interact. energy: 1.054 local terms energy: -53.489039 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -10.106 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -10.918 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -92.181695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.181695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.181695 (E_RNA) where: Base-Base interactions energy: -39.026 where: short stacking energy: -35.847 Base-Backbone interact. energy: -0.005 local terms energy: -53.150492 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -10.922 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -6.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -90.858614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.858614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.858614 (E_RNA) where: Base-Base interactions energy: -37.232 where: short stacking energy: -37.232 Base-Backbone interact. energy: -0.320 local terms energy: -53.306186 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -11.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -73.513819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.513819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.513819 (E_RNA) where: Base-Base interactions energy: -33.085 where: short stacking energy: -31.034 Base-Backbone interact. energy: -0.025 local terms energy: -40.403516 where: bonds (distance) C4'-P energy: -11.361 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -74.753076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.753076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.753076 (E_RNA) where: Base-Base interactions energy: -38.109 where: short stacking energy: -31.723 Base-Backbone interact. energy: -0.190 local terms energy: -36.454099 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -2.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -163.861121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.861121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.861121 (E_RNA) where: Base-Base interactions energy: -105.051 where: short stacking energy: -66.984 Base-Backbone interact. energy: -0.009 local terms energy: -58.800421 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -17.761 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: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -139.966620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.966620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.966620 (E_RNA) where: Base-Base interactions energy: -80.889 where: short stacking energy: -46.232 Base-Backbone interact. energy: -0.121 local terms energy: -58.955908 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -8.667 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: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -141.874729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.874729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.874729 (E_RNA) where: Base-Base interactions energy: -90.535 where: short stacking energy: -48.104 Base-Backbone interact. energy: -0.302 local terms energy: -51.037571 where: bonds (distance) C4'-P energy: -7.909 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -10.648 tors. eta vs tors. theta energy: -5.580 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: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -134.479785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.479785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.479785 (E_RNA) where: Base-Base interactions energy: -86.704 where: short stacking energy: -54.700 Base-Backbone interact. energy: -0.059 local terms energy: -47.716144 where: bonds (distance) C4'-P energy: -10.174 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -131.778045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.778045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.778045 (E_RNA) where: Base-Base interactions energy: -83.305 where: short stacking energy: -49.362 Base-Backbone interact. energy: -0.145 local terms energy: -48.327864 where: bonds (distance) C4'-P energy: -8.692 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -8.269 tors. eta vs tors. theta energy: -10.134 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: 176 Temperature: 1.150000 Total energy: -86.525500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.525500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.525500 (E_RNA) where: Base-Base interactions energy: -41.216 where: short stacking energy: -41.216 Base-Backbone interact. energy: -0.002 local terms energy: -45.306784 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -80.254866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.254866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.254866 (E_RNA) where: Base-Base interactions energy: -36.906 where: short stacking energy: -27.372 Base-Backbone interact. energy: -0.080 local terms energy: -43.269021 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -8.200 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -87.059937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.059937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.059937 (E_RNA) where: Base-Base interactions energy: -45.604 where: short stacking energy: -38.749 Base-Backbone interact. energy: -0.087 local terms energy: -41.368383 where: bonds (distance) C4'-P energy: -9.341 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -4.234 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: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -78.649109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.649109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.649109 (E_RNA) where: Base-Base interactions energy: -31.667 where: short stacking energy: -22.067 Base-Backbone interact. energy: -0.040 local terms energy: -46.942315 where: bonds (distance) C4'-P energy: -9.612 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -71.656116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.656116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.656116 (E_RNA) where: Base-Base interactions energy: -27.798 where: short stacking energy: -27.798 Base-Backbone interact. energy: -0.190 local terms energy: -43.668396 where: bonds (distance) C4'-P energy: -8.165 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -6.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -165.198544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.198544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.198544 (E_RNA) where: Base-Base interactions energy: -96.774 where: short stacking energy: -64.724 Base-Backbone interact. energy: -0.001 local terms energy: -68.423579 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -17.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -146.739597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.739597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.739597 (E_RNA) where: Base-Base interactions energy: -87.366 where: short stacking energy: -50.858 Base-Backbone interact. energy: -0.263 local terms energy: -59.109871 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -8.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -140.196308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.196308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.196308 (E_RNA) where: Base-Base interactions energy: -84.301 where: short stacking energy: -53.052 Base-Backbone interact. energy: -0.001 local terms energy: -55.894420 where: bonds (distance) C4'-P energy: -9.523 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -14.883 flat angles P-C4'-P energy: -9.116 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: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -140.679131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.679131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.679131 (E_RNA) where: Base-Base interactions energy: -81.829 where: short stacking energy: -45.792 Base-Backbone interact. energy: -0.109 local terms energy: -58.741996 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -12.922 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: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -124.775464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.775464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.775464 (E_RNA) where: Base-Base interactions energy: -61.392 where: short stacking energy: -61.392 Base-Backbone interact. energy: -0.299 local terms energy: -63.084526 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -15.242 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -7.111 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: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -108.621063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.621063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.621063 (E_RNA) where: Base-Base interactions energy: -52.343 where: short stacking energy: -44.327 Base-Backbone interact. energy: -0.017 local terms energy: -56.261027 where: bonds (distance) C4'-P energy: -14.466 bonds (distance) P-C4' energy: -11.953 flat angles C4'-P-C4' energy: -9.605 flat angles P-C4'-P energy: -8.295 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: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -96.660559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.660559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.660559 (E_RNA) where: Base-Base interactions energy: -41.221 where: short stacking energy: -41.221 Base-Backbone interact. energy: -0.043 local terms energy: -55.396939 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -11.255 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -10.702 tors. eta vs tors. theta energy: -9.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -83.558900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.558900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.558900 (E_RNA) where: Base-Base interactions energy: -35.328 where: short stacking energy: -35.328 Base-Backbone interact. energy: -0.013 local terms energy: -48.217822 where: bonds (distance) C4'-P energy: -12.075 bonds (distance) P-C4' energy: -10.291 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -7.977 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -68.003054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.003054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.003054 (E_RNA) where: Base-Base interactions energy: -26.471 where: short stacking energy: -26.471 Base-Backbone interact. energy: 0.692 local terms energy: -42.223431 where: bonds (distance) C4'-P energy: -8.388 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -72.819353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.819353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.819353 (E_RNA) where: Base-Base interactions energy: -27.488 where: short stacking energy: -24.900 Base-Backbone interact. energy: -0.248 local terms energy: -45.083651 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -168.116868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.116868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.116868 (E_RNA) where: Base-Base interactions energy: -103.784 where: short stacking energy: -67.202 Base-Backbone interact. energy: -0.059 local terms energy: -64.273975 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -11.582 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: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -149.565255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.565255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.565255 (E_RNA) where: Base-Base interactions energy: -91.476 where: short stacking energy: -51.723 Base-Backbone interact. energy: -0.005 local terms energy: -58.084244 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -13.035 flat angles P-C4'-P energy: -12.227 tors. eta vs tors. theta energy: -9.787 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: 3, replica: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -151.623816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.623816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.623816 (E_RNA) where: Base-Base interactions energy: -90.009 where: short stacking energy: -53.604 Base-Backbone interact. energy: -0.861 local terms energy: -60.753487 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -12.363 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -12.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -131.688360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.688360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.688360 (E_RNA) where: Base-Base interactions energy: -73.977 where: short stacking energy: -39.550 Base-Backbone interact. energy: -0.111 local terms energy: -57.600503 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -7.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -97.827473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.827473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.827473 (E_RNA) where: Base-Base interactions energy: -46.399 where: short stacking energy: -46.399 Base-Backbone interact. energy: -0.119 local terms energy: -51.309321 where: bonds (distance) C4'-P energy: -3.793 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -7.193 tors. eta vs tors. theta energy: -11.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -98.825179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.825179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.825179 (E_RNA) where: Base-Base interactions energy: -48.150 where: short stacking energy: -42.165 Base-Backbone interact. energy: 0.586 local terms energy: -51.261461 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -9.985 tors. eta vs tors. theta energy: -9.211 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: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -80.346834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.346834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.346834 (E_RNA) where: Base-Base interactions energy: -33.627 where: short stacking energy: -33.627 Base-Backbone interact. energy: -0.295 local terms energy: -46.424920 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -1.832 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: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -85.817686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.817686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.817686 (E_RNA) where: Base-Base interactions energy: -34.669 where: short stacking energy: -34.669 Base-Backbone interact. energy: -0.006 local terms energy: -51.142782 where: bonds (distance) C4'-P energy: -10.533 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -9.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -80.550835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.550835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.550835 (E_RNA) where: Base-Base interactions energy: -36.137 where: short stacking energy: -35.207 Base-Backbone interact. energy: 0.907 local terms energy: -45.320294 where: bonds (distance) C4'-P energy: -8.774 bonds (distance) P-C4' energy: -10.493 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -7.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -84.798962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.798962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.798962 (E_RNA) where: Base-Base interactions energy: -37.891 where: short stacking energy: -37.508 Base-Backbone interact. energy: -0.005 local terms energy: -46.903420 where: bonds (distance) C4'-P energy: -9.475 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -11.909 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -7.929 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: 179 Temperature: 0.900000 Total energy: -169.505220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.505220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.505220 (E_RNA) where: Base-Base interactions energy: -98.688 where: short stacking energy: -62.823 Base-Backbone interact. energy: 0.080 local terms energy: -70.896246 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -12.648 tors. eta vs tors. theta energy: -17.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -162.329398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.329398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.329398 (E_RNA) where: Base-Base interactions energy: -93.864 where: short stacking energy: -63.186 Base-Backbone interact. energy: -0.072 local terms energy: -68.392444 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -13.470 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -167.792695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.792695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.792695 (E_RNA) where: Base-Base interactions energy: -102.677 where: short stacking energy: -53.078 Base-Backbone interact. energy: -0.151 local terms energy: -64.964307 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -14.781 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: 9 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -119.950443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.950443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.950443 (E_RNA) where: Base-Base interactions energy: -59.927 where: short stacking energy: -53.837 Base-Backbone interact. energy: -0.146 local terms energy: -59.877654 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -10.560 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: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -135.147376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.147376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.147376 (E_RNA) where: Base-Base interactions energy: -78.196 where: short stacking energy: -48.070 Base-Backbone interact. energy: -0.010 local terms energy: -56.941738 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -81.588424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.588424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.588424 (E_RNA) where: Base-Base interactions energy: -34.190 where: short stacking energy: -34.087 Base-Backbone interact. energy: -0.007 local terms energy: -47.391167 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -9.290 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -6.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -81.676078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.676078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.676078 (E_RNA) where: Base-Base interactions energy: -37.017 where: short stacking energy: -36.323 Base-Backbone interact. energy: -0.034 local terms energy: -44.624956 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -8.426 flat angles C4'-P-C4' energy: -10.690 flat angles P-C4'-P energy: -8.227 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -82.607034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.607034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.607034 (E_RNA) where: Base-Base interactions energy: -32.099 where: short stacking energy: -32.099 Base-Backbone interact. energy: 0.166 local terms energy: -50.674085 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -3.415 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: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -78.373053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.373053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.373053 (E_RNA) where: Base-Base interactions energy: -28.778 where: short stacking energy: -28.778 Base-Backbone interact. energy: -0.028 local terms energy: -49.567333 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -6.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -76.164622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.164622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.164622 (E_RNA) where: Base-Base interactions energy: -40.028 where: short stacking energy: -40.028 Base-Backbone interact. energy: -0.040 local terms energy: -36.095781 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -8.754 flat angles C4'-P-C4' energy: -9.776 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -166.472098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.472098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.472098 (E_RNA) where: Base-Base interactions energy: -105.149 where: short stacking energy: -66.300 Base-Backbone interact. energy: -0.291 local terms energy: -61.031680 where: bonds (distance) C4'-P energy: -10.127 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -16.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -160.692525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.692525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.692525 (E_RNA) where: Base-Base interactions energy: -93.010 where: short stacking energy: -65.364 Base-Backbone interact. energy: -0.117 local terms energy: -67.564939 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -11.777 tors. eta vs tors. theta energy: -15.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -128.245004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.245004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.245004 (E_RNA) where: Base-Base interactions energy: -68.912 where: short stacking energy: -46.782 Base-Backbone interact. energy: -1.208 local terms energy: -58.125531 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -15.373 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -10.234 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: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -138.211139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.211139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.211139 (E_RNA) where: Base-Base interactions energy: -81.798 where: short stacking energy: -51.377 Base-Backbone interact. energy: -0.001 local terms energy: -56.412314 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: -10.914 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: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -108.194282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.194282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.194282 (E_RNA) where: Base-Base interactions energy: -56.348 where: short stacking energy: -55.313 Base-Backbone interact. energy: -0.002 local terms energy: -51.844381 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -11.918 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: 180 Temperature: 1.150000 Total energy: -136.633990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.633990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.633990 (E_RNA) where: Base-Base interactions energy: -81.558 where: short stacking energy: -50.500 Base-Backbone interact. energy: -0.095 local terms energy: -54.980297 where: bonds (distance) C4'-P energy: -7.909 bonds (distance) P-C4' energy: -14.214 flat angles C4'-P-C4' energy: -11.451 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -94.609247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.609247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.609247 (E_RNA) where: Base-Base interactions energy: -44.658 where: short stacking energy: -42.463 Base-Backbone interact. energy: 1.114 local terms energy: -51.065506 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -10.938 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -9.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -81.372727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.372727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.372727 (E_RNA) where: Base-Base interactions energy: -35.778 where: short stacking energy: -31.055 Base-Backbone interact. energy: -0.098 local terms energy: -45.497608 where: bonds (distance) C4'-P energy: -9.023 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -81.161145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.161145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.161145 (E_RNA) where: Base-Base interactions energy: -32.442 where: short stacking energy: -29.692 Base-Backbone interact. energy: -1.408 local terms energy: -47.311252 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -70.370619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.370619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.370619 (E_RNA) where: Base-Base interactions energy: -29.730 where: short stacking energy: -29.730 Base-Backbone interact. energy: -0.298 local terms energy: -40.343431 where: bonds (distance) C4'-P energy: -10.149 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -9.892 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -165.210400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.210400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.210400 (E_RNA) where: Base-Base interactions energy: -103.842 where: short stacking energy: -64.216 Base-Backbone interact. energy: -0.472 local terms energy: -60.896700 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -10.381 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -11.246 tors. eta vs tors. theta energy: -16.712 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: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -135.999974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.999974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.999974 (E_RNA) where: Base-Base interactions energy: -75.287 where: short stacking energy: -54.864 Base-Backbone interact. energy: -0.700 local terms energy: -60.013314 where: bonds (distance) C4'-P energy: -14.770 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -10.556 flat angles P-C4'-P energy: -10.764 tors. eta vs tors. theta energy: -9.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -147.623013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.623013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.623013 (E_RNA) where: Base-Base interactions energy: -88.330 where: short stacking energy: -62.657 Base-Backbone interact. energy: -0.003 local terms energy: -59.290374 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -12.718 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -14.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -148.376175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.376175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.376175 (E_RNA) where: Base-Base interactions energy: -86.669 where: short stacking energy: -48.385 Base-Backbone interact. energy: -0.119 local terms energy: -61.587971 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -12.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -92.282979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.282979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.282979 (E_RNA) where: Base-Base interactions energy: -41.119 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.082 local terms energy: -51.081446 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -123.251365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.251365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.251365 (E_RNA) where: Base-Base interactions energy: -70.955 where: short stacking energy: -47.953 Base-Backbone interact. energy: -0.024 local terms energy: -52.273087 where: bonds (distance) C4'-P energy: -9.425 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -87.529080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.529080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.529080 (E_RNA) where: Base-Base interactions energy: -53.212 where: short stacking energy: -41.645 Base-Backbone interact. energy: -0.400 local terms energy: -33.916591 where: bonds (distance) C4'-P energy: -8.262 bonds (distance) P-C4' energy: -6.007 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -4.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -79.910212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.910212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.910212 (E_RNA) where: Base-Base interactions energy: -36.508 where: short stacking energy: -34.012 Base-Backbone interact. energy: 1.325 local terms energy: -44.726507 where: bonds (distance) C4'-P energy: -11.051 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -92.682011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.682011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.682011 (E_RNA) where: Base-Base interactions energy: -44.080 where: short stacking energy: -44.080 Base-Backbone interact. energy: -0.001 local terms energy: -48.601612 where: bonds (distance) C4'-P energy: -5.673 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -6.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -68.271484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.271484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.271484 (E_RNA) where: Base-Base interactions energy: -34.187 where: short stacking energy: -28.941 Base-Backbone interact. energy: -0.308 local terms energy: -33.776011 where: bonds (distance) C4'-P energy: -8.477 bonds (distance) P-C4' energy: -7.894 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: 1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -136.881475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.881475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.881475 (E_RNA) where: Base-Base interactions energy: -73.411 where: short stacking energy: -60.577 Base-Backbone interact. energy: -0.482 local terms energy: -62.988507 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -164.718842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.718842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.718842 (E_RNA) where: Base-Base interactions energy: -99.883 where: short stacking energy: -62.639 Base-Backbone interact. energy: -0.003 local terms energy: -64.831977 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -15.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -149.386813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.386813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.386813 (E_RNA) where: Base-Base interactions energy: -83.591 where: short stacking energy: -57.806 Base-Backbone interact. energy: -0.015 local terms energy: -65.780771 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -13.078 tors. eta vs tors. theta energy: -12.402 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: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -141.349305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.349305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.349305 (E_RNA) where: Base-Base interactions energy: -82.156 where: short stacking energy: -52.736 Base-Backbone interact. energy: -0.052 local terms energy: -59.141303 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -12.673 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: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -132.035913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.035913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.035913 (E_RNA) where: Base-Base interactions energy: -78.983 where: short stacking energy: -45.258 Base-Backbone interact. energy: -0.028 local terms energy: -53.024661 where: bonds (distance) C4'-P energy: -15.013 bonds (distance) P-C4' energy: -6.642 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -8.633 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: 6, replica: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -104.032915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.032915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.032915 (E_RNA) where: Base-Base interactions energy: -58.104 where: short stacking energy: -38.760 Base-Backbone interact. energy: -0.004 local terms energy: -45.925060 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -9.419 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -92.020582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.020582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.020582 (E_RNA) where: Base-Base interactions energy: -42.679 where: short stacking energy: -39.608 Base-Backbone interact. energy: -0.062 local terms energy: -49.279981 where: bonds (distance) C4'-P energy: -5.992 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -88.780472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.780472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.780472 (E_RNA) where: Base-Base interactions energy: -41.043 where: short stacking energy: -41.043 Base-Backbone interact. energy: -0.098 local terms energy: -47.639021 where: bonds (distance) C4'-P energy: -8.492 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -81.532875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.532875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.532875 (E_RNA) where: Base-Base interactions energy: -39.225 where: short stacking energy: -37.669 Base-Backbone interact. energy: -0.115 local terms energy: -42.192975 where: bonds (distance) C4'-P energy: -13.361 bonds (distance) P-C4' energy: -9.325 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -66.965469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.965469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.965469 (E_RNA) where: Base-Base interactions energy: -31.960 where: short stacking energy: -31.790 Base-Backbone interact. energy: -1.352 local terms energy: -33.654310 where: bonds (distance) C4'-P energy: -9.225 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: 2.813 tors. eta vs tors. theta energy: -7.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -136.429797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.429797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.429797 (E_RNA) where: Base-Base interactions energy: -73.768 where: short stacking energy: -48.605 Base-Backbone interact. energy: -0.170 local terms energy: -62.491553 where: bonds (distance) C4'-P energy: -10.868 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -11.923 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: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -154.667862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.667862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.667862 (E_RNA) where: Base-Base interactions energy: -91.706 where: short stacking energy: -61.897 Base-Backbone interact. energy: -0.007 local terms energy: -62.954772 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -16.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -162.876170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.876170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.876170 (E_RNA) where: Base-Base interactions energy: -101.308 where: short stacking energy: -65.695 Base-Backbone interact. energy: -0.001 local terms energy: -61.567327 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -7.008 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: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -154.503499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.503499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.503499 (E_RNA) where: Base-Base interactions energy: -88.235 where: short stacking energy: -56.316 Base-Backbone interact. energy: -0.034 local terms energy: -66.234864 where: bonds (distance) C4'-P energy: -14.425 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -14.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -143.170709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.170709 (E_RNA) where: Base-Base interactions energy: -88.710 where: short stacking energy: -54.477 Base-Backbone interact. energy: -0.027 local terms energy: -54.434190 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -11.240 flat angles C4'-P-C4' energy: -13.567 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -9.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -99.952668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.952668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.952668 (E_RNA) where: Base-Base interactions energy: -42.791 where: short stacking energy: -42.341 Base-Backbone interact. energy: -1.665 local terms energy: -55.496593 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -8.537 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -8.647 tors. eta vs tors. theta energy: -11.075 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: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -86.865456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.865456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.865456 (E_RNA) where: Base-Base interactions energy: -31.884 where: short stacking energy: -31.884 Base-Backbone interact. energy: -0.013 local terms energy: -54.968337 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -11.543 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -75.903454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.903454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.903454 (E_RNA) where: Base-Base interactions energy: -35.771 where: short stacking energy: -24.163 Base-Backbone interact. energy: -0.605 local terms energy: -39.527416 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: 0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -84.028739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.028739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.028739 (E_RNA) where: Base-Base interactions energy: -30.878 where: short stacking energy: -26.615 Base-Backbone interact. energy: -0.546 local terms energy: -52.605313 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -70.707047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.707047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.707047 (E_RNA) where: Base-Base interactions energy: -33.191 where: short stacking energy: -31.310 Base-Backbone interact. energy: -0.244 local terms energy: -37.272571 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -12.895 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -0.081 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: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -139.746877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.746877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.746877 (E_RNA) where: Base-Base interactions energy: -79.594 where: short stacking energy: -59.716 Base-Backbone interact. energy: -0.159 local terms energy: -59.993467 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -12.893 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -10.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -137.911435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.911435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.911435 (E_RNA) where: Base-Base interactions energy: -76.757 where: short stacking energy: -45.753 Base-Backbone interact. energy: 0.016 local terms energy: -61.170500 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -11.311 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -11.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -136.460994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.460994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.460994 (E_RNA) where: Base-Base interactions energy: -78.747 where: short stacking energy: -50.261 Base-Backbone interact. energy: -0.222 local terms energy: -57.492051 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -15.294 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: 184 Temperature: 1.050000 Total energy: -150.957410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.957410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.957410 (E_RNA) where: Base-Base interactions energy: -89.628 where: short stacking energy: -52.164 Base-Backbone interact. energy: -0.002 local terms energy: -61.327177 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -10.145 flat angles P-C4'-P energy: -11.663 tors. eta vs tors. theta energy: -14.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -97.976754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.976754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.976754 (E_RNA) where: Base-Base interactions energy: -35.445 where: short stacking energy: -35.445 Base-Backbone interact. energy: -0.418 local terms energy: -62.113892 where: bonds (distance) C4'-P energy: -14.769 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -11.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -124.987437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.987437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.987437 (E_RNA) where: Base-Base interactions energy: -74.032 where: short stacking energy: -43.329 Base-Backbone interact. energy: -0.214 local terms energy: -50.740940 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -87.831729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.831729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.831729 (E_RNA) where: Base-Base interactions energy: -38.426 where: short stacking energy: -35.727 Base-Backbone interact. energy: -0.100 local terms energy: -49.305599 where: bonds (distance) C4'-P energy: -9.148 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -6.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -83.818828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.818828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.818828 (E_RNA) where: Base-Base interactions energy: -39.589 where: short stacking energy: -36.165 Base-Backbone interact. energy: -0.233 local terms energy: -43.996774 where: bonds (distance) C4'-P energy: -6.796 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -84.020713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.020713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.020713 (E_RNA) where: Base-Base interactions energy: -34.564 where: short stacking energy: -34.564 Base-Backbone interact. energy: -0.075 local terms energy: -49.381641 where: bonds (distance) C4'-P energy: -8.911 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -10.120 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -9.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -67.024607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.024607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.024607 (E_RNA) where: Base-Base interactions energy: -33.582 where: short stacking energy: -27.364 Base-Backbone interact. energy: -0.285 local terms energy: -33.157115 where: bonds (distance) C4'-P energy: -9.647 bonds (distance) P-C4' energy: -11.893 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: 1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -125.415236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.415236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.415236 (E_RNA) where: Base-Base interactions energy: -71.445 where: short stacking energy: -44.597 Base-Backbone interact. energy: -0.564 local terms energy: -53.406283 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -9.372 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: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -142.399504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.399504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.399504 (E_RNA) where: Base-Base interactions energy: -93.107 where: short stacking energy: -60.818 Base-Backbone interact. energy: 0.081 local terms energy: -49.372701 where: bonds (distance) C4'-P energy: -7.749 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -141.784703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.784703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.784703 (E_RNA) where: Base-Base interactions energy: -84.715 where: short stacking energy: -57.594 Base-Backbone interact. energy: -0.007 local terms energy: -57.062152 where: bonds (distance) C4'-P energy: -10.088 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -13.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -146.386956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.386956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.386956 (E_RNA) where: Base-Base interactions energy: -87.952 where: short stacking energy: -56.147 Base-Backbone interact. energy: -0.019 local terms energy: -58.416601 where: bonds (distance) C4'-P energy: -11.304 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -7.755 tors. eta vs tors. theta energy: -14.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -104.719212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.719212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.719212 (E_RNA) where: Base-Base interactions energy: -49.639 where: short stacking energy: -48.678 Base-Backbone interact. energy: -0.047 local terms energy: -55.033637 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -12.248 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -13.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -118.913193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.913193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.913193 (E_RNA) where: Base-Base interactions energy: -70.779 where: short stacking energy: -38.096 Base-Backbone interact. energy: 0.139 local terms energy: -48.273246 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -8.369 tors. eta vs tors. theta energy: -4.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -80.533354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.533354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.533354 (E_RNA) where: Base-Base interactions energy: -36.107 where: short stacking energy: -36.107 Base-Backbone interact. energy: -0.251 local terms energy: -44.175487 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -9.630 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -86.667881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.667881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.667881 (E_RNA) where: Base-Base interactions energy: -43.365 where: short stacking energy: -31.356 Base-Backbone interact. energy: -0.013 local terms energy: -43.289746 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -1.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -69.689921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.689921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.689921 (E_RNA) where: Base-Base interactions energy: -35.611 where: short stacking energy: -35.611 Base-Backbone interact. energy: -0.076 local terms energy: -34.002735 where: bonds (distance) C4'-P energy: -3.906 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -11.256 flat angles P-C4'-P energy: -0.144 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -71.606505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.606505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.606505 (E_RNA) where: Base-Base interactions energy: -34.393 where: short stacking energy: -34.393 Base-Backbone interact. energy: -0.100 local terms energy: -37.113821 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -11.561 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -137.030868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.030868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.030868 (E_RNA) where: Base-Base interactions energy: -78.934 where: short stacking energy: -50.530 Base-Backbone interact. energy: -0.335 local terms energy: -57.762022 where: bonds (distance) C4'-P energy: -9.236 bonds (distance) P-C4' energy: -14.608 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -8.377 tors. eta vs tors. theta energy: -10.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -130.166212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.166212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.166212 (E_RNA) where: Base-Base interactions energy: -68.717 where: short stacking energy: -55.677 Base-Backbone interact. energy: -0.347 local terms energy: -61.102550 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -12.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -143.999325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.999325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.999325 (E_RNA) where: Base-Base interactions energy: -86.680 where: short stacking energy: -54.402 Base-Backbone interact. energy: -0.127 local terms energy: -57.192027 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -13.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -148.398108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.398108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.398108 (E_RNA) where: Base-Base interactions energy: -84.475 where: short stacking energy: -44.492 Base-Backbone interact. energy: -0.115 local terms energy: -63.809047 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -16.475 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -12.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -127.770087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.770087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.770087 (E_RNA) where: Base-Base interactions energy: -84.553 where: short stacking energy: -48.790 Base-Backbone interact. energy: -0.042 local terms energy: -43.175387 where: bonds (distance) C4'-P energy: -10.012 bonds (distance) P-C4' energy: -10.566 flat angles C4'-P-C4' energy: -11.433 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -97.638714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.638714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.638714 (E_RNA) where: Base-Base interactions energy: -49.573 where: short stacking energy: -49.573 Base-Backbone interact. energy: -0.008 local terms energy: -48.057826 where: bonds (distance) C4'-P energy: -10.049 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -9.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -90.344086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.344086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.344086 (E_RNA) where: Base-Base interactions energy: -45.196 where: short stacking energy: -29.574 Base-Backbone interact. energy: -0.117 local terms energy: -45.030613 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -9.169 flat angles C4'-P-C4' energy: -10.436 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -81.419994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.419994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.419994 (E_RNA) where: Base-Base interactions energy: -36.539 where: short stacking energy: -36.539 Base-Backbone interact. energy: -0.261 local terms energy: -44.620886 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -4.408 flat angles C4'-P-C4' energy: -11.498 flat angles P-C4'-P energy: -4.908 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: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -88.649173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.649173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.649173 (E_RNA) where: Base-Base interactions energy: -38.483 where: short stacking energy: -38.583 Base-Backbone interact. energy: -0.956 local terms energy: -49.209758 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -7.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -68.362918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.362918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.362918 (E_RNA) where: Base-Base interactions energy: -34.063 where: short stacking energy: -34.063 Base-Backbone interact. energy: -0.125 local terms energy: -34.174908 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -6.449 flat angles C4'-P-C4' energy: -9.225 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -148.942777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.942777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.942777 (E_RNA) where: Base-Base interactions energy: -88.640 where: short stacking energy: -59.236 Base-Backbone interact. energy: -0.711 local terms energy: -59.591777 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -12.052 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -8.668 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: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -142.556429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.556429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.556429 (E_RNA) where: Base-Base interactions energy: -85.224 where: short stacking energy: -60.207 Base-Backbone interact. energy: -0.006 local terms energy: -57.326746 where: bonds (distance) C4'-P energy: -11.738 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -14.403 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: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -132.052172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.052172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.052172 (E_RNA) where: Base-Base interactions energy: -75.141 where: short stacking energy: -52.151 Base-Backbone interact. energy: -0.052 local terms energy: -56.859145 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -7.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -127.788214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.788214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.788214 (E_RNA) where: Base-Base interactions energy: -76.163 where: short stacking energy: -36.981 Base-Backbone interact. energy: -0.121 local terms energy: -51.504402 where: bonds (distance) C4'-P energy: -9.429 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -8.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -132.094931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.094931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.094931 (E_RNA) where: Base-Base interactions energy: -80.377 where: short stacking energy: -48.647 Base-Backbone interact. energy: -0.693 local terms energy: -51.025178 where: bonds (distance) C4'-P energy: -10.385 bonds (distance) P-C4' energy: -11.786 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -6.302 tors. eta vs tors. theta energy: -8.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -92.691499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.691499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.691499 (E_RNA) where: Base-Base interactions energy: -40.524 where: short stacking energy: -40.524 Base-Backbone interact. energy: -0.009 local terms energy: -52.158060 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -86.601546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.601546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.601546 (E_RNA) where: Base-Base interactions energy: -35.142 where: short stacking energy: -32.524 Base-Backbone interact. energy: -0.021 local terms energy: -51.438521 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -8.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -81.895924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.895924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.895924 (E_RNA) where: Base-Base interactions energy: -35.249 where: short stacking energy: -34.110 Base-Backbone interact. energy: -0.048 local terms energy: -46.598419 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -85.516474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.516474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.516474 (E_RNA) where: Base-Base interactions energy: -39.226 where: short stacking energy: -29.901 Base-Backbone interact. energy: -0.354 local terms energy: -45.936825 where: bonds (distance) C4'-P energy: -5.752 bonds (distance) P-C4' energy: -10.808 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -8.837 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -89.419382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.419382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.419382 (E_RNA) where: Base-Base interactions energy: -39.942 where: short stacking energy: -39.942 Base-Backbone interact. energy: -0.027 local terms energy: -49.450001 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -12.079 flat angles C4'-P-C4' energy: -9.193 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -8.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -151.403572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.403572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.403572 (E_RNA) where: Base-Base interactions energy: -91.710 where: short stacking energy: -56.432 Base-Backbone interact. energy: -0.194 local terms energy: -59.499264 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -8.515 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -14.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -156.980171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.980171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.980171 (E_RNA) where: Base-Base interactions energy: -89.830 where: short stacking energy: -59.218 Base-Backbone interact. energy: -0.010 local terms energy: -67.139533 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -14.617 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -14.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -124.452309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.452309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.452309 (E_RNA) where: Base-Base interactions energy: -72.086 where: short stacking energy: -36.353 Base-Backbone interact. energy: 0.365 local terms energy: -52.730790 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -131.792074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.792074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.792074 (E_RNA) where: Base-Base interactions energy: -79.635 where: short stacking energy: -42.523 Base-Backbone interact. energy: -0.079 local terms energy: -52.078040 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -100.156228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.156228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.156228 (E_RNA) where: Base-Base interactions energy: -44.857 where: short stacking energy: -40.303 Base-Backbone interact. energy: -0.041 local terms energy: -55.258833 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -9.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -106.493365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.493365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.493365 (E_RNA) where: Base-Base interactions energy: -57.173 where: short stacking energy: -43.830 Base-Backbone interact. energy: -0.036 local terms energy: -49.285361 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -6.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -91.144516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.144516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.144516 (E_RNA) where: Base-Base interactions energy: -55.778 where: short stacking energy: -44.098 Base-Backbone interact. energy: -0.175 local terms energy: -35.191668 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -8.636 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -5.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -85.149520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.149520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.149520 (E_RNA) where: Base-Base interactions energy: -36.608 where: short stacking energy: -36.608 Base-Backbone interact. energy: -0.016 local terms energy: -48.525438 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -12.171 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -9.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -83.421392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.421392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.421392 (E_RNA) where: Base-Base interactions energy: -30.308 where: short stacking energy: -27.714 Base-Backbone interact. energy: -0.211 local terms energy: -52.902450 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -5.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -73.815462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.815462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.815462 (E_RNA) where: Base-Base interactions energy: -33.050 where: short stacking energy: -30.534 Base-Backbone interact. energy: -1.430 local terms energy: -39.334961 where: bonds (distance) C4'-P energy: -4.103 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -150.618806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.618806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.618806 (E_RNA) where: Base-Base interactions energy: -86.353 where: short stacking energy: -61.282 Base-Backbone interact. energy: -0.001 local terms energy: -64.265143 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -9.746 flat angles P-C4'-P energy: -10.966 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: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -166.341863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.341863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.341863 (E_RNA) where: Base-Base interactions energy: -99.394 where: short stacking energy: -68.619 Base-Backbone interact. energy: 0.144 local terms energy: -67.092367 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -18.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -141.213082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.213082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.213082 (E_RNA) where: Base-Base interactions energy: -86.450 where: short stacking energy: -41.773 Base-Backbone interact. energy: -0.167 local terms energy: -54.595886 where: bonds (distance) C4'-P energy: -9.710 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -7.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -127.258708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.258708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.258708 (E_RNA) where: Base-Base interactions energy: -70.330 where: short stacking energy: -40.896 Base-Backbone interact. energy: -0.006 local terms energy: -56.922762 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.122 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -8.040 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: 189 Temperature: 1.100000 Total energy: -103.576088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.576088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.576088 (E_RNA) where: Base-Base interactions energy: -44.954 where: short stacking energy: -43.601 Base-Backbone interact. energy: -0.004 local terms energy: -58.618103 where: bonds (distance) C4'-P energy: -11.270 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -10.238 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: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -93.474039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.474039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.474039 (E_RNA) where: Base-Base interactions energy: -53.854 where: short stacking energy: -36.562 Base-Backbone interact. energy: -0.056 local terms energy: -39.563448 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -79.888266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.888266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.888266 (E_RNA) where: Base-Base interactions energy: -32.641 where: short stacking energy: -32.641 Base-Backbone interact. energy: -0.096 local terms energy: -47.151578 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -11.636 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -73.582487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.582487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.582487 (E_RNA) where: Base-Base interactions energy: -32.438 where: short stacking energy: -32.438 Base-Backbone interact. energy: -0.080 local terms energy: -41.064301 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -5.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -73.049962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.049962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.049962 (E_RNA) where: Base-Base interactions energy: -27.803 where: short stacking energy: -22.329 Base-Backbone interact. energy: -0.243 local terms energy: -45.004121 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -13.023 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -0.060 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: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -70.418595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.418595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.418595 (E_RNA) where: Base-Base interactions energy: -38.093 where: short stacking energy: -37.238 Base-Backbone interact. energy: -0.137 local terms energy: -32.188225 where: bonds (distance) C4'-P energy: -8.178 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -158.732428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.732428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.732428 (E_RNA) where: Base-Base interactions energy: -98.447 where: short stacking energy: -58.239 Base-Backbone interact. energy: -0.117 local terms energy: -60.168323 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -7.846 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: 2, replica: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -168.164308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.164308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.164308 (E_RNA) where: Base-Base interactions energy: -103.513 where: short stacking energy: -68.073 Base-Backbone interact. energy: -0.001 local terms energy: -64.649935 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.220 flat angles P-C4'-P energy: -8.400 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: 3, replica: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -146.806686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.806686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.806686 (E_RNA) where: Base-Base interactions energy: -79.046 where: short stacking energy: -47.791 Base-Backbone interact. energy: -0.033 local terms energy: -67.727584 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -133.497506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.497506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.497506 (E_RNA) where: Base-Base interactions energy: -75.657 where: short stacking energy: -42.816 Base-Backbone interact. energy: -0.001 local terms energy: -57.838935 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -9.545 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -12.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -112.875329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.875329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.875329 (E_RNA) where: Base-Base interactions energy: -57.617 where: short stacking energy: -50.903 Base-Backbone interact. energy: 0.107 local terms energy: -55.365475 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -5.885 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -10.804 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: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -88.819637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.819637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.819637 (E_RNA) where: Base-Base interactions energy: -40.950 where: short stacking energy: -33.890 Base-Backbone interact. energy: -0.023 local terms energy: -47.846927 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -2.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -88.649957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.649957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.649957 (E_RNA) where: Base-Base interactions energy: -40.323 where: short stacking energy: -39.104 Base-Backbone interact. energy: 0.174 local terms energy: -48.501534 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -11.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -120.126237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.126237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.126237 (E_RNA) where: Base-Base interactions energy: -64.216 where: short stacking energy: -36.938 Base-Backbone interact. energy: -0.118 local terms energy: -55.791639 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -86.537360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.537360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.537360 (E_RNA) where: Base-Base interactions energy: -38.244 where: short stacking energy: -35.106 Base-Backbone interact. energy: -0.101 local terms energy: -48.192870 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -11.308 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -10.293 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: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -75.124971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.124971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.124971 (E_RNA) where: Base-Base interactions energy: -32.423 where: short stacking energy: -32.423 Base-Backbone interact. energy: 1.646 local terms energy: -44.348072 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -162.201518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.201518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.201518 (E_RNA) where: Base-Base interactions energy: -100.208 where: short stacking energy: -58.786 Base-Backbone interact. energy: -0.017 local terms energy: -61.976989 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -13.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -165.641662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.641662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.641662 (E_RNA) where: Base-Base interactions energy: -97.197 where: short stacking energy: -67.379 Base-Backbone interact. energy: -0.000 local terms energy: -68.444947 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -8.066 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: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -150.827042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.827042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.827042 (E_RNA) where: Base-Base interactions energy: -92.693 where: short stacking energy: -50.945 Base-Backbone interact. energy: -0.068 local terms energy: -58.065877 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -12.368 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: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -134.589985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.589985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.589985 (E_RNA) where: Base-Base interactions energy: -80.073 where: short stacking energy: -55.206 Base-Backbone interact. energy: -0.507 local terms energy: -54.009769 where: bonds (distance) C4'-P energy: -10.659 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -8.262 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: 5, replica: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -95.202171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.202171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.202171 (E_RNA) where: Base-Base interactions energy: -38.439 where: short stacking energy: -38.439 Base-Backbone interact. energy: -0.079 local terms energy: -56.683591 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -8.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -95.228786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.228786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.228786 (E_RNA) where: Base-Base interactions energy: -46.486 where: short stacking energy: -46.486 Base-Backbone interact. energy: -0.650 local terms energy: -48.092320 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -10.040 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -9.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -92.563375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.563375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.563375 (E_RNA) where: Base-Base interactions energy: -40.198 where: short stacking energy: -39.793 Base-Backbone interact. energy: -0.041 local terms energy: -52.324090 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -10.890 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -114.319020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.319020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.319020 (E_RNA) where: Base-Base interactions energy: -63.983 where: short stacking energy: -38.917 Base-Backbone interact. energy: 0.049 local terms energy: -50.385315 where: bonds (distance) C4'-P energy: -11.176 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -87.180850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.180850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.180850 (E_RNA) where: Base-Base interactions energy: -37.545 where: short stacking energy: -34.730 Base-Backbone interact. energy: -0.135 local terms energy: -49.501035 where: bonds (distance) C4'-P energy: -13.809 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -69.742602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.742602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.742602 (E_RNA) where: Base-Base interactions energy: -34.046 where: short stacking energy: -29.576 Base-Backbone interact. energy: -0.008 local terms energy: -35.688123 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: 0.113 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -6.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -165.395419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.395419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.395419 (E_RNA) where: Base-Base interactions energy: -100.268 where: short stacking energy: -67.378 Base-Backbone interact. energy: -0.000 local terms energy: -65.126926 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -15.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -158.111994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.111994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.111994 (E_RNA) where: Base-Base interactions energy: -90.698 where: short stacking energy: -56.681 Base-Backbone interact. energy: 0.531 local terms energy: -67.944615 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -14.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -160.067219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.067219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.067219 (E_RNA) where: Base-Base interactions energy: -96.906 where: short stacking energy: -57.217 Base-Backbone interact. energy: -0.007 local terms energy: -63.154040 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -9.975 tors. eta vs tors. theta energy: -11.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -129.324289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.324289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.324289 (E_RNA) where: Base-Base interactions energy: -73.829 where: short stacking energy: -45.456 Base-Backbone interact. energy: 2.514 local terms energy: -58.009908 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -15.966 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -11.401 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: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -118.575247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.575247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.575247 (E_RNA) where: Base-Base interactions energy: -57.709 where: short stacking energy: -57.709 Base-Backbone interact. energy: -0.047 local terms energy: -60.819634 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -14.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -96.850267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.850267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.850267 (E_RNA) where: Base-Base interactions energy: -47.162 where: short stacking energy: -47.162 Base-Backbone interact. energy: -0.003 local terms energy: -49.685895 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -9.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -87.228336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.228336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.228336 (E_RNA) where: Base-Base interactions energy: -38.473 where: short stacking energy: -38.473 Base-Backbone interact. energy: -0.212 local terms energy: -48.543626 where: bonds (distance) C4'-P energy: -8.016 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -5.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -83.473220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.473220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.473220 (E_RNA) where: Base-Base interactions energy: -32.111 where: short stacking energy: -32.111 Base-Backbone interact. energy: -0.139 local terms energy: -51.223580 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -9.370 flat angles P-C4'-P energy: -9.105 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -73.660657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.660657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.660657 (E_RNA) where: Base-Base interactions energy: -32.461 where: short stacking energy: -32.378 Base-Backbone interact. energy: 0.132 local terms energy: -41.332082 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -70.134541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.134541 (E_RNA) where: Base-Base interactions energy: -28.977 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.111 local terms energy: -41.046453 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -10.341 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -171.948831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.948831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.948831 (E_RNA) where: Base-Base interactions energy: -108.609 where: short stacking energy: -68.769 Base-Backbone interact. energy: -0.086 local terms energy: -63.253653 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -11.035 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: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -164.451621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.451621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.451621 (E_RNA) where: Base-Base interactions energy: -99.509 where: short stacking energy: -62.162 Base-Backbone interact. energy: -0.153 local terms energy: -64.789017 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -10.966 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -147.341377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.341377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.341377 (E_RNA) where: Base-Base interactions energy: -91.827 where: short stacking energy: -60.674 Base-Backbone interact. energy: -0.076 local terms energy: -55.438959 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -11.576 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -12.455 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: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -138.490162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.490162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.490162 (E_RNA) where: Base-Base interactions energy: -85.759 where: short stacking energy: -55.145 Base-Backbone interact. energy: -0.199 local terms energy: -52.532054 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -1.378 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: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -102.812042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.812042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.812042 (E_RNA) where: Base-Base interactions energy: -49.863 where: short stacking energy: -43.479 Base-Backbone interact. energy: -0.352 local terms energy: -52.597792 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -10.753 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -91.825845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.825845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.825845 (E_RNA) where: Base-Base interactions energy: -44.309 where: short stacking energy: -44.309 Base-Backbone interact. energy: -0.182 local terms energy: -47.335068 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -85.245778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.245778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.245778 (E_RNA) where: Base-Base interactions energy: -38.562 where: short stacking energy: -38.562 Base-Backbone interact. energy: -0.063 local terms energy: -46.620639 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -8.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -89.950599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.950599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.950599 (E_RNA) where: Base-Base interactions energy: -48.574 where: short stacking energy: -34.150 Base-Backbone interact. energy: -0.293 local terms energy: -41.083628 where: bonds (distance) C4'-P energy: -4.946 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -7.261 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -72.858624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.858624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.858624 (E_RNA) where: Base-Base interactions energy: -28.864 where: short stacking energy: -28.864 Base-Backbone interact. energy: -0.184 local terms energy: -43.810184 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -78.135121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.135121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.135121 (E_RNA) where: Base-Base interactions energy: -35.400 where: short stacking energy: -30.667 Base-Backbone interact. energy: -0.068 local terms energy: -42.667269 where: bonds (distance) C4'-P energy: -6.770 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -167.274046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.274046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.274046 (E_RNA) where: Base-Base interactions energy: -105.214 where: short stacking energy: -60.632 Base-Backbone interact. energy: -0.005 local terms energy: -62.055394 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -9.601 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: 6 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -160.073078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.073078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.073078 (E_RNA) where: Base-Base interactions energy: -104.583 where: short stacking energy: -65.277 Base-Backbone interact. energy: -0.006 local terms energy: -55.483577 where: bonds (distance) C4'-P energy: -8.705 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -13.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -149.974165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.974165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.974165 (E_RNA) where: Base-Base interactions energy: -91.123 where: short stacking energy: -61.834 Base-Backbone interact. energy: -0.027 local terms energy: -58.825071 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -135.841565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.841565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.841565 (E_RNA) where: Base-Base interactions energy: -76.996 where: short stacking energy: -50.435 Base-Backbone interact. energy: -0.043 local terms energy: -58.801766 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -9.703 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -9.282 tors. eta vs tors. theta energy: -13.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -101.942638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.942638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.942638 (E_RNA) where: Base-Base interactions energy: -44.140 where: short stacking energy: -44.140 Base-Backbone interact. energy: -0.003 local terms energy: -57.800265 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -7.845 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: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -112.297923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.297923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.297923 (E_RNA) where: Base-Base interactions energy: -56.038 where: short stacking energy: -56.038 Base-Backbone interact. energy: -0.002 local terms energy: -56.258130 where: bonds (distance) C4'-P energy: -11.330 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -13.127 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -13.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -89.784051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.784051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.784051 (E_RNA) where: Base-Base interactions energy: -40.664 where: short stacking energy: -40.611 Base-Backbone interact. energy: -0.075 local terms energy: -49.044206 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -9.492 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -6.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -84.462097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.462097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.462097 (E_RNA) where: Base-Base interactions energy: -37.323 where: short stacking energy: -37.145 Base-Backbone interact. energy: 0.572 local terms energy: -47.710435 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -10.972 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -7.483 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: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -77.018015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.018015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.018015 (E_RNA) where: Base-Base interactions energy: -30.679 where: short stacking energy: -28.149 Base-Backbone interact. energy: -0.145 local terms energy: -46.194081 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -11.480 flat angles C4'-P-C4' energy: -9.517 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -75.418443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.418443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.418443 (E_RNA) where: Base-Base interactions energy: -31.451 where: short stacking energy: -31.451 Base-Backbone interact. energy: -0.113 local terms energy: -43.853731 where: bonds (distance) C4'-P energy: -11.329 bonds (distance) P-C4' energy: -8.139 flat angles C4'-P-C4' energy: -12.562 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -2.049 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: 1, replica: 10 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -170.179614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.179614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.179614 (E_RNA) where: Base-Base interactions energy: -105.754 where: short stacking energy: -67.161 Base-Backbone interact. energy: -0.005 local terms energy: -64.420804 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -14.231 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -164.536586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.536586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.536586 (E_RNA) where: Base-Base interactions energy: -99.822 where: short stacking energy: -67.167 Base-Backbone interact. energy: -0.046 local terms energy: -64.668649 where: bonds (distance) C4'-P energy: -15.419 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -9.240 tors. eta vs tors. theta energy: -16.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -157.434703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.434703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.434703 (E_RNA) where: Base-Base interactions energy: -97.500 where: short stacking energy: -50.070 Base-Backbone interact. energy: -0.428 local terms energy: -59.507230 where: bonds (distance) C4'-P energy: -10.004 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.061 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -113.158167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.158167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.158167 (E_RNA) where: Base-Base interactions energy: -56.675 where: short stacking energy: -56.675 Base-Backbone interact. energy: 2.553 local terms energy: -59.035885 where: bonds (distance) C4'-P energy: -10.233 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -13.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -129.645376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.645376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.645376 (E_RNA) where: Base-Base interactions energy: -77.978 where: short stacking energy: -44.589 Base-Backbone interact. energy: -0.165 local terms energy: -51.502672 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -9.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -91.926532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.926532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.926532 (E_RNA) where: Base-Base interactions energy: -43.968 where: short stacking energy: -37.897 Base-Backbone interact. energy: 0.233 local terms energy: -48.192094 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -82.384842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.384842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.384842 (E_RNA) where: Base-Base interactions energy: -32.717 where: short stacking energy: -32.717 Base-Backbone interact. energy: 0.848 local terms energy: -50.516245 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -77.666758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.666758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.666758 (E_RNA) where: Base-Base interactions energy: -38.860 where: short stacking energy: -36.948 Base-Backbone interact. energy: -0.048 local terms energy: -38.758954 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -1.256 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -86.406301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.406301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.406301 (E_RNA) where: Base-Base interactions energy: -39.987 where: short stacking energy: -27.772 Base-Backbone interact. energy: -0.045 local terms energy: -46.374286 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -82.199398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.199398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.199398 (E_RNA) where: Base-Base interactions energy: -42.308 where: short stacking energy: -39.653 Base-Backbone interact. energy: -0.264 local terms energy: -39.627303 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -10.179 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -7.637 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: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -161.242272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.242272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.242272 (E_RNA) where: Base-Base interactions energy: -94.499 where: short stacking energy: -62.445 Base-Backbone interact. energy: 0.123 local terms energy: -66.866382 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -12.506 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -12.012 tors. eta vs tors. theta energy: -14.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -162.257783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.257783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.257783 (E_RNA) where: Base-Base interactions energy: -98.986 where: short stacking energy: -63.341 Base-Backbone interact. energy: 0.193 local terms energy: -63.465158 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -14.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -157.060776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.060776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.060776 (E_RNA) where: Base-Base interactions energy: -102.635 where: short stacking energy: -59.692 Base-Backbone interact. energy: -0.012 local terms energy: -54.414013 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -10.039 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -6.401 tors. eta vs tors. theta energy: -14.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -99.732184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.732184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.732184 (E_RNA) where: Base-Base interactions energy: -43.406 where: short stacking energy: -43.406 Base-Backbone interact. energy: -0.164 local terms energy: -56.162442 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -136.347156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.347156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.347156 (E_RNA) where: Base-Base interactions energy: -77.649 where: short stacking energy: -52.396 Base-Backbone interact. energy: -0.099 local terms energy: -58.599249 where: bonds (distance) C4'-P energy: -14.301 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -9.949 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: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -115.471603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.471603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.471603 (E_RNA) where: Base-Base interactions energy: -55.562 where: short stacking energy: -52.483 Base-Backbone interact. energy: -0.083 local terms energy: -59.827075 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -14.123 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: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -86.592889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.592889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.592889 (E_RNA) where: Base-Base interactions energy: -39.860 where: short stacking energy: -36.860 Base-Backbone interact. energy: -0.247 local terms energy: -46.486350 where: bonds (distance) C4'-P energy: -9.458 bonds (distance) P-C4' energy: -10.100 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -5.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -82.728797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.728797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.728797 (E_RNA) where: Base-Base interactions energy: -38.760 where: short stacking energy: -29.223 Base-Backbone interact. energy: -1.563 local terms energy: -42.405709 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -10.052 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -3.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -82.919169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.919169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.919169 (E_RNA) where: Base-Base interactions energy: -33.479 where: short stacking energy: -24.311 Base-Backbone interact. energy: -0.121 local terms energy: -49.318618 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -72.998973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.998973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.998973 (E_RNA) where: Base-Base interactions energy: -29.012 where: short stacking energy: -27.951 Base-Backbone interact. energy: 1.277 local terms energy: -45.264319 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -168.459985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.459985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.459985 (E_RNA) where: Base-Base interactions energy: -97.369 where: short stacking energy: -69.465 Base-Backbone interact. energy: -0.000 local terms energy: -71.090397 where: bonds (distance) C4'-P energy: -15.613 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -15.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -161.049261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.049261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.049261 (E_RNA) where: Base-Base interactions energy: -94.894 where: short stacking energy: -59.311 Base-Backbone interact. energy: -0.003 local terms energy: -66.152639 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -11.556 tors. eta vs tors. theta energy: -13.260 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: 3, replica: 10 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -142.308750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.308750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.308750 (E_RNA) where: Base-Base interactions energy: -82.434 where: short stacking energy: -51.735 Base-Backbone interact. energy: -0.001 local terms energy: -59.873952 where: bonds (distance) C4'-P energy: -10.727 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -10.640 tors. eta vs tors. theta energy: -12.579 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: 4, replica: 4 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -139.253857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.253857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.253857 (E_RNA) where: Base-Base interactions energy: -85.199 where: short stacking energy: -49.759 Base-Backbone interact. energy: -0.439 local terms energy: -53.615554 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -11.580 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -8.942 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: 5, replica: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -97.646115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.646115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.646115 (E_RNA) where: Base-Base interactions energy: -44.230 where: short stacking energy: -43.767 Base-Backbone interact. energy: -0.099 local terms energy: -53.317350 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -8.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -97.491081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.491081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.491081 (E_RNA) where: Base-Base interactions energy: -50.279 where: short stacking energy: -50.279 Base-Backbone interact. energy: -0.140 local terms energy: -47.072786 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -7.875 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -10.041 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: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -107.537693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.537693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.537693 (E_RNA) where: Base-Base interactions energy: -53.736 where: short stacking energy: -51.259 Base-Backbone interact. energy: 2.452 local terms energy: -56.254148 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -9.685 flat angles C4'-P-C4' energy: -14.439 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -13.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -81.148830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.148830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.148830 (E_RNA) where: Base-Base interactions energy: -35.997 where: short stacking energy: -35.997 Base-Backbone interact. energy: -0.067 local terms energy: -45.085613 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: -0.643 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: 7 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -81.626424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.626424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.626424 (E_RNA) where: Base-Base interactions energy: -32.230 where: short stacking energy: -30.177 Base-Backbone interact. energy: -0.025 local terms energy: -49.371205 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -3.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -79.165862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.165862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.165862 (E_RNA) where: Base-Base interactions energy: -33.485 where: short stacking energy: -33.485 Base-Backbone interact. energy: -0.047 local terms energy: -45.634581 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -166.155358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.155358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.155358 (E_RNA) where: Base-Base interactions energy: -98.023 where: short stacking energy: -65.266 Base-Backbone interact. energy: -0.008 local terms energy: -68.124206 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -15.323 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -16.151 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: 9 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -148.659733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.659733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.659733 (E_RNA) where: Base-Base interactions energy: -85.573 where: short stacking energy: -52.782 Base-Backbone interact. energy: -0.233 local terms energy: -62.852938 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -9.577 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: 3, replica: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -150.257276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.257276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.257276 (E_RNA) where: Base-Base interactions energy: -94.490 where: short stacking energy: -55.113 Base-Backbone interact. energy: -0.096 local terms energy: -55.671849 where: bonds (distance) C4'-P energy: -9.938 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -11.141 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: 10 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -140.725334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.725334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.725334 (E_RNA) where: Base-Base interactions energy: -78.070 where: short stacking energy: -50.505 Base-Backbone interact. energy: -0.497 local terms energy: -62.159062 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -12.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -112.030784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.030784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.030784 (E_RNA) where: Base-Base interactions energy: -55.254 where: short stacking energy: -55.254 Base-Backbone interact. energy: -0.019 local terms energy: -56.757751 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -9.076 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -7.618 tors. eta vs tors. theta energy: -12.865 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: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -95.720129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.720129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.720129 (E_RNA) where: Base-Base interactions energy: -41.014 where: short stacking energy: -37.456 Base-Backbone interact. energy: -0.298 local terms energy: -54.408177 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -9.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -94.931965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.931965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.931965 (E_RNA) where: Base-Base interactions energy: -41.935 where: short stacking energy: -41.935 Base-Backbone interact. energy: -0.071 local terms energy: -52.926222 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -11.594 flat angles C4'-P-C4' energy: -10.592 flat angles P-C4'-P energy: -7.677 tors. eta vs tors. theta energy: -8.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -75.725856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.725856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.725856 (E_RNA) where: Base-Base interactions energy: -30.388 where: short stacking energy: -26.424 Base-Backbone interact. energy: -0.094 local terms energy: -45.244308 where: bonds (distance) C4'-P energy: -8.390 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -79.482213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.482213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.482213 (E_RNA) where: Base-Base interactions energy: -30.995 where: short stacking energy: -30.995 Base-Backbone interact. energy: -0.105 local terms energy: -48.382858 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -4.711 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: 7 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -73.603784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.603784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.603784 (E_RNA) where: Base-Base interactions energy: -43.455 where: short stacking energy: -43.455 Base-Backbone interact. energy: -0.233 local terms energy: -29.915432 where: bonds (distance) C4'-P energy: -1.957 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -12.754 flat angles P-C4'-P energy: 0.807 tors. eta vs tors. theta energy: -5.664 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: 199 Temperature: 0.900000 Total energy: -160.754732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.754732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.754732 (E_RNA) where: Base-Base interactions energy: -101.497 where: short stacking energy: -63.972 Base-Backbone interact. energy: -0.026 local terms energy: -59.231345 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -9.901 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: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -147.824474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.824474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.824474 (E_RNA) where: Base-Base interactions energy: -88.930 where: short stacking energy: -56.566 Base-Backbone interact. energy: -0.374 local terms energy: -58.520447 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -10.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -150.779080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.779080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.779080 (E_RNA) where: Base-Base interactions energy: -87.862 where: short stacking energy: -54.420 Base-Backbone interact. energy: -0.592 local terms energy: -62.325307 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -12.898 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: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -116.497998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.497998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.497998 (E_RNA) where: Base-Base interactions energy: -53.194 where: short stacking energy: -51.147 Base-Backbone interact. energy: -0.000 local terms energy: -63.303697 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -14.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -131.331787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.331787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.331787 (E_RNA) where: Base-Base interactions energy: -75.947 where: short stacking energy: -46.456 Base-Backbone interact. energy: -0.108 local terms energy: -55.277110 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -4.300 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: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -90.440143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.440143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.440143 (E_RNA) where: Base-Base interactions energy: -51.451 where: short stacking energy: -44.021 Base-Backbone interact. energy: -0.005 local terms energy: -38.984449 where: bonds (distance) C4'-P energy: -8.803 bonds (distance) P-C4' energy: -9.762 flat angles C4'-P-C4' energy: -9.020 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -97.913558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.913558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.913558 (E_RNA) where: Base-Base interactions energy: -38.564 where: short stacking energy: -40.130 Base-Backbone interact. energy: -0.610 local terms energy: -58.739082 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -9.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -81.976948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.976948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.976948 (E_RNA) where: Base-Base interactions energy: -32.781 where: short stacking energy: -30.305 Base-Backbone interact. energy: 0.642 local terms energy: -49.837968 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -84.502153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.502153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.502153 (E_RNA) where: Base-Base interactions energy: -35.319 where: short stacking energy: -31.697 Base-Backbone interact. energy: -1.386 local terms energy: -47.797446 where: bonds (distance) C4'-P energy: -8.223 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -12.563 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -80.221372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.221372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.221372 (E_RNA) where: Base-Base interactions energy: -35.893 where: short stacking energy: -35.893 Base-Backbone interact. energy: -0.006 local terms energy: -44.322366 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -10.517 flat angles C4'-P-C4' energy: -9.862 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -2.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -161.650927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.650927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.650927 (E_RNA) where: Base-Base interactions energy: -95.974 where: short stacking energy: -60.348 Base-Backbone interact. energy: 0.176 local terms energy: -65.853031 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -13.118 tors. eta vs tors. theta energy: -13.919 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: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -171.400351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.400351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.400351 (E_RNA) where: Base-Base interactions energy: -105.589 where: short stacking energy: -60.552 Base-Backbone interact. energy: -0.722 local terms energy: -65.089578 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.917 flat angles P-C4'-P energy: -10.997 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: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -141.131617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.131617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.131617 (E_RNA) where: Base-Base interactions energy: -84.172 where: short stacking energy: -54.225 Base-Backbone interact. energy: -0.190 local terms energy: -56.770234 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -13.924 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: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -116.018666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.018666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.018666 (E_RNA) where: Base-Base interactions energy: -55.778 where: short stacking energy: -55.756 Base-Backbone interact. energy: -0.004 local terms energy: -60.236652 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -11.824 tors. eta vs tors. theta energy: -11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -130.884073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.884073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.884073 (E_RNA) where: Base-Base interactions energy: -85.982 where: short stacking energy: -53.232 Base-Backbone interact. energy: 0.486 local terms energy: -45.387842 where: bonds (distance) C4'-P energy: -6.794 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -9.305 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -9.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -84.121920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.121920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.121920 (E_RNA) where: Base-Base interactions energy: -30.468 where: short stacking energy: -24.774 Base-Backbone interact. energy: -0.118 local terms energy: -53.536288 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -90.251338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.251338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.251338 (E_RNA) where: Base-Base interactions energy: -44.500 where: short stacking energy: -32.972 Base-Backbone interact. energy: -0.013 local terms energy: -45.738060 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -6.362 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: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -84.110408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.110408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.110408 (E_RNA) where: Base-Base interactions energy: -38.708 where: short stacking energy: -38.072 Base-Backbone interact. energy: -0.023 local terms energy: -45.379211 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -12.991 flat angles C4'-P-C4' energy: -8.910 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -87.145453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.145453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.145453 (E_RNA) where: Base-Base interactions energy: -36.311 where: short stacking energy: -36.311 Base-Backbone interact. energy: -0.033 local terms energy: -50.800895 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -6.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -73.808953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.808953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.808953 (E_RNA) where: Base-Base interactions energy: -32.740 where: short stacking energy: -32.740 Base-Backbone interact. energy: 0.233 local terms energy: -41.301627 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -1.255 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -171.481845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.481845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.481845 (E_RNA) where: Base-Base interactions energy: -102.592 where: short stacking energy: -59.886 Base-Backbone interact. energy: -0.000 local terms energy: -68.889420 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -11.038 tors. eta vs tors. theta energy: -15.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -162.892186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.892186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.892186 (E_RNA) where: Base-Base interactions energy: -100.797 where: short stacking energy: -62.657 Base-Backbone interact. energy: -0.001 local terms energy: -62.094290 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -16.661 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: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -132.272943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.272943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.272943 (E_RNA) where: Base-Base interactions energy: -76.958 where: short stacking energy: -48.133 Base-Backbone interact. energy: -0.003 local terms energy: -55.311764 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -9.554 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: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -109.109986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.109986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.109986 (E_RNA) where: Base-Base interactions energy: -56.889 where: short stacking energy: -42.360 Base-Backbone interact. energy: -0.154 local terms energy: -52.066823 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -6.809 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: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -115.671619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.671619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.671619 (E_RNA) where: Base-Base interactions energy: -67.618 where: short stacking energy: -46.626 Base-Backbone interact. energy: -0.322 local terms energy: -47.731242 where: bonds (distance) C4'-P energy: -9.255 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -9.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -92.022521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.022521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.022521 (E_RNA) where: Base-Base interactions energy: -40.871 where: short stacking energy: -40.871 Base-Backbone interact. energy: -0.099 local terms energy: -51.052267 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -88.407352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.407352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.407352 (E_RNA) where: Base-Base interactions energy: -35.174 where: short stacking energy: -28.588 Base-Backbone interact. energy: -0.039 local terms energy: -53.195114 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -77.975336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.975336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.975336 (E_RNA) where: Base-Base interactions energy: -40.769 where: short stacking energy: -31.033 Base-Backbone interact. energy: -0.519 local terms energy: -36.686820 where: bonds (distance) C4'-P energy: -10.749 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: 0.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -82.027542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.027542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.027542 (E_RNA) where: Base-Base interactions energy: -37.901 where: short stacking energy: -37.901 Base-Backbone interact. energy: -0.137 local terms energy: -43.989183 where: bonds (distance) C4'-P energy: -8.847 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -9.652 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -7.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -81.148817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.148817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.148817 (E_RNA) where: Base-Base interactions energy: -35.131 where: short stacking energy: -35.131 Base-Backbone interact. energy: -0.007 local terms energy: -46.010340 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -10.647 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -170.206502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.206502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.206502 (E_RNA) where: Base-Base interactions energy: -102.310 where: short stacking energy: -66.611 Base-Backbone interact. energy: -0.001 local terms energy: -67.895876 where: bonds (distance) C4'-P energy: -13.332 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -15.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -163.927666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.927666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.927666 (E_RNA) where: Base-Base interactions energy: -100.310 where: short stacking energy: -62.056 Base-Backbone interact. energy: 0.175 local terms energy: -63.792899 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -15.091 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -114.196209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.196209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.196209 (E_RNA) where: Base-Base interactions energy: -56.043 where: short stacking energy: -51.561 Base-Backbone interact. energy: -0.070 local terms energy: -58.083363 where: bonds (distance) C4'-P energy: -15.125 bonds (distance) P-C4' energy: -11.330 flat angles C4'-P-C4' energy: -12.822 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -10.515 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: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -131.115695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.115695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.115695 (E_RNA) where: Base-Base interactions energy: -71.390 where: short stacking energy: -37.347 Base-Backbone interact. energy: -0.572 local terms energy: -59.153329 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -98.210865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.210865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.210865 (E_RNA) where: Base-Base interactions energy: -43.890 where: short stacking energy: -41.324 Base-Backbone interact. energy: -0.277 local terms energy: -54.043224 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -11.146 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -8.577 tors. eta vs tors. theta energy: -7.863 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: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -114.593571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.593571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.593571 (E_RNA) where: Base-Base interactions energy: -61.859 where: short stacking energy: -45.953 Base-Backbone interact. energy: 0.715 local terms energy: -53.449027 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -8.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -85.533890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.533890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.533890 (E_RNA) where: Base-Base interactions energy: -37.618 where: short stacking energy: -30.773 Base-Backbone interact. energy: -0.002 local terms energy: -47.913639 where: bonds (distance) C4'-P energy: -9.378 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -8.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -76.264899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.264899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.264899 (E_RNA) where: Base-Base interactions energy: -24.024 where: short stacking energy: -21.477 Base-Backbone interact. energy: -0.008 local terms energy: -52.232670 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -12.765 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -69.560893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.560893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.560893 (E_RNA) where: Base-Base interactions energy: -24.027 where: short stacking energy: -21.878 Base-Backbone interact. energy: -0.081 local terms energy: -45.453235 where: bonds (distance) C4'-P energy: -13.523 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -70.759500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.759500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.759500 (E_RNA) where: Base-Base interactions energy: -25.478 where: short stacking energy: -25.478 Base-Backbone interact. energy: -0.075 local terms energy: -45.206514 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -5.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -168.322748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.322748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.322748 (E_RNA) where: Base-Base interactions energy: -105.842 where: short stacking energy: -58.287 Base-Backbone interact. energy: -0.063 local terms energy: -62.417454 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -9.734 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -158.033215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.033215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.033215 (E_RNA) where: Base-Base interactions energy: -99.112 where: short stacking energy: -62.233 Base-Backbone interact. energy: -0.001 local terms energy: -58.920346 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -8.943 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -128.017851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.017851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.017851 (E_RNA) where: Base-Base interactions energy: -67.938 where: short stacking energy: -66.523 Base-Backbone interact. energy: -0.003 local terms energy: -60.077594 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -15.920 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: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -133.671578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.671578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.671578 (E_RNA) where: Base-Base interactions energy: -85.884 where: short stacking energy: -52.802 Base-Backbone interact. energy: -0.347 local terms energy: -47.441534 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -9.778 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -9.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -93.602598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.602598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.602598 (E_RNA) where: Base-Base interactions energy: -44.856 where: short stacking energy: -44.390 Base-Backbone interact. energy: -0.011 local terms energy: -48.734963 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -6.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -102.405126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.405126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.405126 (E_RNA) where: Base-Base interactions energy: -44.190 where: short stacking energy: -44.190 Base-Backbone interact. energy: -0.065 local terms energy: -58.150001 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -10.877 tors. eta vs tors. theta energy: -9.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -101.204971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.204971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.204971 (E_RNA) where: Base-Base interactions energy: -55.251 where: short stacking energy: -35.728 Base-Backbone interact. energy: -0.163 local terms energy: -45.791675 where: bonds (distance) C4'-P energy: -11.439 bonds (distance) P-C4' energy: -10.622 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -5.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -87.069708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.069708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.069708 (E_RNA) where: Base-Base interactions energy: -39.487 where: short stacking energy: -31.953 Base-Backbone interact. energy: -0.092 local terms energy: -47.490185 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -73.560781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.560781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.560781 (E_RNA) where: Base-Base interactions energy: -24.239 where: short stacking energy: -24.239 Base-Backbone interact. energy: -0.099 local terms energy: -49.222826 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -76.052380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.052380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.052380 (E_RNA) where: Base-Base interactions energy: -34.618 where: short stacking energy: -34.618 Base-Backbone interact. energy: 0.178 local terms energy: -41.612026 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -11.463 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -155.044260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.044260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.044260 (E_RNA) where: Base-Base interactions energy: -92.055 where: short stacking energy: -57.499 Base-Backbone interact. energy: -0.056 local terms energy: -62.933763 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -13.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -165.781619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.781619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.781619 (E_RNA) where: Base-Base interactions energy: -101.116 where: short stacking energy: -65.591 Base-Backbone interact. energy: -0.009 local terms energy: -64.657362 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -11.207 tors. eta vs tors. theta energy: -16.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -132.847399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.847399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.847399 (E_RNA) where: Base-Base interactions energy: -74.849 where: short stacking energy: -47.878 Base-Backbone interact. energy: 0.224 local terms energy: -58.222751 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -118.089602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.089602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.089602 (E_RNA) where: Base-Base interactions energy: -57.401 where: short stacking energy: -57.401 Base-Backbone interact. energy: -0.002 local terms energy: -60.686832 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -15.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -109.912319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.912319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.912319 (E_RNA) where: Base-Base interactions energy: -56.925 where: short stacking energy: -56.925 Base-Backbone interact. energy: -0.109 local terms energy: -52.878413 where: bonds (distance) C4'-P energy: -9.097 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -10.441 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -14.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -107.282924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.282924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.282924 (E_RNA) where: Base-Base interactions energy: -48.742 where: short stacking energy: -48.742 Base-Backbone interact. energy: -0.161 local terms energy: -58.379584 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -10.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -98.024074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.024074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.024074 (E_RNA) where: Base-Base interactions energy: -45.405 where: short stacking energy: -44.790 Base-Backbone interact. energy: -0.002 local terms energy: -52.616717 where: bonds (distance) C4'-P energy: -9.301 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -9.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -126.459673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.459673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.459673 (E_RNA) where: Base-Base interactions energy: -72.398 where: short stacking energy: -43.434 Base-Backbone interact. energy: -0.221 local terms energy: -53.841012 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -10.113 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: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -85.789057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.789057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.789057 (E_RNA) where: Base-Base interactions energy: -35.029 where: short stacking energy: -31.251 Base-Backbone interact. energy: 0.025 local terms energy: -50.785667 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -4.773 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: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -77.826689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826689 (E_RNA) where: Base-Base interactions energy: -24.655 where: short stacking energy: -24.655 Base-Backbone interact. energy: -0.273 local terms energy: -52.898693 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -161.674141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.674141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.674141 (E_RNA) where: Base-Base interactions energy: -95.633 where: short stacking energy: -59.751 Base-Backbone interact. energy: -0.076 local terms energy: -65.964992 where: bonds (distance) C4'-P energy: -15.141 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -10.054 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -15.122 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -168.013845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.013845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.013845 (E_RNA) where: Base-Base interactions energy: -98.706 where: short stacking energy: -62.772 Base-Backbone interact. energy: 1.376 local terms energy: -70.683279 where: bonds (distance) C4'-P energy: -11.238 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -16.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -163.687185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.687185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.687185 (E_RNA) where: Base-Base interactions energy: -100.882 where: short stacking energy: -61.854 Base-Backbone interact. energy: -0.020 local terms energy: -62.784469 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -12.383 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: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -105.373149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.373149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.373149 (E_RNA) where: Base-Base interactions energy: -42.046 where: short stacking energy: -40.698 Base-Backbone interact. energy: -0.137 local terms energy: -63.190194 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -10.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -94.761786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.761786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.761786 (E_RNA) where: Base-Base interactions energy: -45.038 where: short stacking energy: -44.594 Base-Backbone interact. energy: -0.006 local terms energy: -49.718647 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -9.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -100.845226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.845226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.845226 (E_RNA) where: Base-Base interactions energy: -46.443 where: short stacking energy: -46.443 Base-Backbone interact. energy: -0.007 local terms energy: -54.394378 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -11.702 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -10.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -90.344425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.344425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.344425 (E_RNA) where: Base-Base interactions energy: -44.229 where: short stacking energy: -38.612 Base-Backbone interact. energy: -0.004 local terms energy: -46.112231 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -5.786 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: 205 Temperature: 1.250000 Total energy: -112.589515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.589515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.589515 (E_RNA) where: Base-Base interactions energy: -66.524 where: short stacking energy: -38.789 Base-Backbone interact. energy: -0.372 local terms energy: -45.692873 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -11.394 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -76.910484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.910484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.910484 (E_RNA) where: Base-Base interactions energy: -34.389 where: short stacking energy: -32.879 Base-Backbone interact. energy: -0.004 local terms energy: -42.517496 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -10.306 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -5.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -75.758842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.758842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.758842 (E_RNA) where: Base-Base interactions energy: -31.302 where: short stacking energy: -28.664 Base-Backbone interact. energy: 0.424 local terms energy: -44.880695 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -11.925 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -162.291527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.291527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.291527 (E_RNA) where: Base-Base interactions energy: -101.898 where: short stacking energy: -67.430 Base-Backbone interact. energy: 0.529 local terms energy: -60.923006 where: bonds (distance) C4'-P energy: -11.026 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -7.825 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: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -160.224472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.224472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.224472 (E_RNA) where: Base-Base interactions energy: -100.093 where: short stacking energy: -66.150 Base-Backbone interact. energy: -0.002 local terms energy: -60.129106 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -13.930 flat angles P-C4'-P energy: -6.831 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: 3, replica: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -145.935857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.935857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.935857 (E_RNA) where: Base-Base interactions energy: -85.706 where: short stacking energy: -50.719 Base-Backbone interact. energy: -0.002 local terms energy: -60.227400 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -7.039 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: 4, replica: 2 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -97.789431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.789431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.789431 (E_RNA) where: Base-Base interactions energy: -50.656 where: short stacking energy: -45.583 Base-Backbone interact. energy: -0.003 local terms energy: -47.130809 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -101.607112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.607112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.607112 (E_RNA) where: Base-Base interactions energy: -47.773 where: short stacking energy: -47.773 Base-Backbone interact. energy: -0.020 local terms energy: -53.814081 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -11.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -101.942964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.942964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.942964 (E_RNA) where: Base-Base interactions energy: -53.310 where: short stacking energy: -47.795 Base-Backbone interact. energy: -0.133 local terms energy: -48.500588 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -11.618 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -5.714 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: 7, replica: 3 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -121.419567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.419567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.419567 (E_RNA) where: Base-Base interactions energy: -65.663 where: short stacking energy: -36.830 Base-Backbone interact. energy: -0.203 local terms energy: -55.554239 where: bonds (distance) C4'-P energy: -10.306 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -8.814 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: 8, replica: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -82.459691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.459691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.459691 (E_RNA) where: Base-Base interactions energy: -34.335 where: short stacking energy: -33.908 Base-Backbone interact. energy: -0.067 local terms energy: -48.058089 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -73.203880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.203880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.203880 (E_RNA) where: Base-Base interactions energy: -27.589 where: short stacking energy: -27.441 Base-Backbone interact. energy: -0.045 local terms energy: -45.570579 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -10.618 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -7.842 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -67.886797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.886797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.886797 (E_RNA) where: Base-Base interactions energy: -28.850 where: short stacking energy: -27.492 Base-Backbone interact. energy: -0.140 local terms energy: -38.896755 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -1.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -166.057567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.057567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.057567 (E_RNA) where: Base-Base interactions energy: -103.699 where: short stacking energy: -60.259 Base-Backbone interact. energy: -0.723 local terms energy: -61.635270 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -153.221345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.221345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.221345 (E_RNA) where: Base-Base interactions energy: -96.274 where: short stacking energy: -62.822 Base-Backbone interact. energy: -0.567 local terms energy: -56.380805 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -6.603 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: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -148.570206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.570206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.570206 (E_RNA) where: Base-Base interactions energy: -90.773 where: short stacking energy: -54.737 Base-Backbone interact. energy: 0.669 local terms energy: -58.466231 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -106.820591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.820591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.820591 (E_RNA) where: Base-Base interactions energy: -53.853 where: short stacking energy: -39.528 Base-Backbone interact. energy: -0.024 local terms energy: -52.943335 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -5.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -108.547820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.547820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.547820 (E_RNA) where: Base-Base interactions energy: -48.294 where: short stacking energy: -45.452 Base-Backbone interact. energy: -1.227 local terms energy: -59.026663 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -122.420614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.420614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.420614 (E_RNA) where: Base-Base interactions energy: -71.354 where: short stacking energy: -43.791 Base-Backbone interact. energy: 0.117 local terms energy: -51.183603 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -12.806 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -7.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -89.501737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.501737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.501737 (E_RNA) where: Base-Base interactions energy: -36.735 where: short stacking energy: -33.278 Base-Backbone interact. energy: -0.052 local terms energy: -52.714991 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -9.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -85.540670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.540670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.540670 (E_RNA) where: Base-Base interactions energy: -38.254 where: short stacking energy: -38.254 Base-Backbone interact. energy: -0.103 local terms energy: -47.184233 where: bonds (distance) C4'-P energy: -10.219 bonds (distance) P-C4' energy: -9.476 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -75.923559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.923559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.923559 (E_RNA) where: Base-Base interactions energy: -34.942 where: short stacking energy: -32.659 Base-Backbone interact. energy: -0.110 local terms energy: -40.871796 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -8.810 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -71.862616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.862616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.862616 (E_RNA) where: Base-Base interactions energy: -36.038 where: short stacking energy: -34.462 Base-Backbone interact. energy: 0.111 local terms energy: -35.935687 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -1.801 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: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -167.872062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.872062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.872062 (E_RNA) where: Base-Base interactions energy: -99.843 where: short stacking energy: -62.756 Base-Backbone interact. energy: 0.203 local terms energy: -68.232012 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -11.094 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -151.416435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.416435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.416435 (E_RNA) where: Base-Base interactions energy: -89.154 where: short stacking energy: -54.829 Base-Backbone interact. energy: -0.712 local terms energy: -61.550690 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -11.271 tors. eta vs tors. theta energy: -12.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -134.564546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.564546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.564546 (E_RNA) where: Base-Base interactions energy: -77.249 where: short stacking energy: -43.828 Base-Backbone interact. energy: -1.527 local terms energy: -55.789070 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -9.219 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: 4, replica: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -114.288940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.288940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.288940 (E_RNA) where: Base-Base interactions energy: -64.089 where: short stacking energy: -39.012 Base-Backbone interact. energy: -0.018 local terms energy: -50.182046 where: bonds (distance) C4'-P energy: -9.258 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -7.312 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: 2 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -94.872105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.872105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.872105 (E_RNA) where: Base-Base interactions energy: -45.195 where: short stacking energy: -45.195 Base-Backbone interact. energy: -0.117 local terms energy: -49.559891 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -7.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -124.901124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.901124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.901124 (E_RNA) where: Base-Base interactions energy: -70.626 where: short stacking energy: -38.196 Base-Backbone interact. energy: -0.193 local terms energy: -54.082193 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -8.625 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: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -86.887308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.887308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.887308 (E_RNA) where: Base-Base interactions energy: -41.419 where: short stacking energy: -40.618 Base-Backbone interact. energy: 0.536 local terms energy: -46.004778 where: bonds (distance) C4'-P energy: -13.448 bonds (distance) P-C4' energy: -12.717 flat angles C4'-P-C4' energy: -11.458 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -1.614 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: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -91.709226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.709226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.709226 (E_RNA) where: Base-Base interactions energy: -51.444 where: short stacking energy: -36.027 Base-Backbone interact. energy: -0.141 local terms energy: -40.123650 where: bonds (distance) C4'-P energy: -7.151 bonds (distance) P-C4' energy: -10.477 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -80.781877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.781877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.781877 (E_RNA) where: Base-Base interactions energy: -32.900 where: short stacking energy: -27.521 Base-Backbone interact. energy: -0.299 local terms energy: -47.582967 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -6.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -69.462110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.462110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.462110 (E_RNA) where: Base-Base interactions energy: -27.458 where: short stacking energy: -17.945 Base-Backbone interact. energy: -0.282 local terms energy: -41.722003 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -1.083 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: 209 Temperature: 0.900000 Total energy: -162.801904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.801904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.801904 (E_RNA) where: Base-Base interactions energy: -95.851 where: short stacking energy: -57.004 Base-Backbone interact. energy: -0.075 local terms energy: -66.876009 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -16.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -152.785841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.785841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.785841 (E_RNA) where: Base-Base interactions energy: -90.663 where: short stacking energy: -56.185 Base-Backbone interact. energy: -0.171 local terms energy: -61.951673 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -13.921 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: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -143.101114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.101114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.101114 (E_RNA) where: Base-Base interactions energy: -78.260 where: short stacking energy: -53.602 Base-Backbone interact. energy: -0.006 local terms energy: -64.834960 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -12.259 tors. eta vs tors. theta energy: -11.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -112.685887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.685887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.685887 (E_RNA) where: Base-Base interactions energy: -50.675 where: short stacking energy: -50.675 Base-Backbone interact. energy: -0.015 local terms energy: -61.995729 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -8.394 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: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -108.566439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.566439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.566439 (E_RNA) where: Base-Base interactions energy: -56.387 where: short stacking energy: -47.448 Base-Backbone interact. energy: -0.095 local terms energy: -52.083834 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -10.103 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -8.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -133.292580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.292580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.292580 (E_RNA) where: Base-Base interactions energy: -86.374 where: short stacking energy: -44.204 Base-Backbone interact. energy: -1.249 local terms energy: -45.670049 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -92.714174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.714174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.714174 (E_RNA) where: Base-Base interactions energy: -43.426 where: short stacking energy: -41.186 Base-Backbone interact. energy: -0.036 local terms energy: -49.252111 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -7.558 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: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -77.759423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.759423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.759423 (E_RNA) where: Base-Base interactions energy: -31.782 where: short stacking energy: -31.882 Base-Backbone interact. energy: -0.013 local terms energy: -45.965005 where: bonds (distance) C4'-P energy: -13.709 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -10.339 flat angles P-C4'-P energy: -7.769 tors. eta vs tors. theta energy: -5.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -74.214904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.214904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.214904 (E_RNA) where: Base-Base interactions energy: -29.397 where: short stacking energy: -29.397 Base-Backbone interact. energy: -0.083 local terms energy: -44.734387 where: bonds (distance) C4'-P energy: -8.049 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -75.973284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.973284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.973284 (E_RNA) where: Base-Base interactions energy: -36.735 where: short stacking energy: -33.226 Base-Backbone interact. energy: -0.116 local terms energy: -39.122844 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -7.606 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -156.712894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.712894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.712894 (E_RNA) where: Base-Base interactions energy: -94.109 where: short stacking energy: -57.878 Base-Backbone interact. energy: -0.019 local terms energy: -62.585104 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -7.833 tors. eta vs tors. theta energy: -15.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -154.232172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.232172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.232172 (E_RNA) where: Base-Base interactions energy: -89.890 where: short stacking energy: -57.905 Base-Backbone interact. energy: -0.001 local terms energy: -64.341889 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -10.400 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -15.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -137.561771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.561771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.561771 (E_RNA) where: Base-Base interactions energy: -79.393 where: short stacking energy: -40.322 Base-Backbone interact. energy: -0.047 local terms energy: -58.122289 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -9.984 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: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -97.930454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.930454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.930454 (E_RNA) where: Base-Base interactions energy: -42.249 where: short stacking energy: -39.256 Base-Backbone interact. energy: -0.120 local terms energy: -55.560667 where: bonds (distance) C4'-P energy: -12.666 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -7.776 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: 5, replica: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -136.096959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.096959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.096959 (E_RNA) where: Base-Base interactions energy: -83.476 where: short stacking energy: -44.758 Base-Backbone interact. energy: -0.173 local terms energy: -52.447476 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -110.996609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.996609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.996609 (E_RNA) where: Base-Base interactions energy: -61.764 where: short stacking energy: -46.952 Base-Backbone interact. energy: 0.144 local terms energy: -49.377013 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -6.986 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -91.978374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.978374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.978374 (E_RNA) where: Base-Base interactions energy: -52.912 where: short stacking energy: -35.922 Base-Backbone interact. energy: -0.909 local terms energy: -38.156811 where: bonds (distance) C4'-P energy: -1.850 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -5.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -93.746103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.746103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.746103 (E_RNA) where: Base-Base interactions energy: -50.014 where: short stacking energy: -36.037 Base-Backbone interact. energy: -0.206 local terms energy: -43.526836 where: bonds (distance) C4'-P energy: -10.547 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -9.197 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -5.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -86.894937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.894937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.894937 (E_RNA) where: Base-Base interactions energy: -39.289 where: short stacking energy: -38.931 Base-Backbone interact. energy: -0.047 local terms energy: -47.559568 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -69.117548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.117548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.117548 (E_RNA) where: Base-Base interactions energy: -30.829 where: short stacking energy: -15.894 Base-Backbone interact. energy: 0.656 local terms energy: -38.944211 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: 3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -163.332515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.332515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.332515 (E_RNA) where: Base-Base interactions energy: -103.195 where: short stacking energy: -69.050 Base-Backbone interact. energy: 0.483 local terms energy: -60.620378 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -16.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -166.784253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.784253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.784253 (E_RNA) where: Base-Base interactions energy: -108.613 where: short stacking energy: -57.310 Base-Backbone interact. energy: -0.004 local terms energy: -58.167608 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -13.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -156.180795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.180795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.180795 (E_RNA) where: Base-Base interactions energy: -93.677 where: short stacking energy: -50.582 Base-Backbone interact. energy: 0.446 local terms energy: -62.949936 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -11.570 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -135.112751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.112751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.112751 (E_RNA) where: Base-Base interactions energy: -79.898 where: short stacking energy: -46.252 Base-Backbone interact. energy: 0.558 local terms energy: -55.772137 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -104.594646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.594646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.594646 (E_RNA) where: Base-Base interactions energy: -48.877 where: short stacking energy: -48.877 Base-Backbone interact. energy: -0.140 local terms energy: -55.577767 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -83.296768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.296768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.296768 (E_RNA) where: Base-Base interactions energy: -42.662 where: short stacking energy: -42.551 Base-Backbone interact. energy: -0.016 local terms energy: -40.617930 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -87.667581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.667581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.667581 (E_RNA) where: Base-Base interactions energy: -32.586 where: short stacking energy: -32.586 Base-Backbone interact. energy: -0.154 local terms energy: -54.927952 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -6.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -82.281738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.281738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.281738 (E_RNA) where: Base-Base interactions energy: -35.020 where: short stacking energy: -35.020 Base-Backbone interact. energy: -0.100 local terms energy: -47.161722 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -5.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -78.346870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.346870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.346870 (E_RNA) where: Base-Base interactions energy: -31.572 where: short stacking energy: -30.743 Base-Backbone interact. energy: -0.095 local terms energy: -46.679718 where: bonds (distance) C4'-P energy: -15.017 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -80.689498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.689498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.689498 (E_RNA) where: Base-Base interactions energy: -30.095 where: short stacking energy: -27.272 Base-Backbone interact. energy: -0.131 local terms energy: -50.464046 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -11.418 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -11.971 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -165.909055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.909055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.909055 (E_RNA) where: Base-Base interactions energy: -104.927 where: short stacking energy: -60.890 Base-Backbone interact. energy: -0.200 local terms energy: -60.782662 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -10.865 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -13.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -167.421879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.421879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.421879 (E_RNA) where: Base-Base interactions energy: -99.286 where: short stacking energy: -51.760 Base-Backbone interact. energy: -0.260 local terms energy: -67.875892 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -17.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -134.633649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.633649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.633649 (E_RNA) where: Base-Base interactions energy: -81.469 where: short stacking energy: -55.234 Base-Backbone interact. energy: -0.293 local terms energy: -52.871748 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -10.252 flat angles P-C4'-P energy: -9.633 tors. eta vs tors. theta energy: -8.852 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: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -137.216628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.216628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.216628 (E_RNA) where: Base-Base interactions energy: -78.239 where: short stacking energy: -44.676 Base-Backbone interact. energy: -0.653 local terms energy: -58.324578 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -10.327 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -12.297 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: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -98.723416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.723416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.723416 (E_RNA) where: Base-Base interactions energy: -51.147 where: short stacking energy: -44.779 Base-Backbone interact. energy: 0.132 local terms energy: -47.709011 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -7.190 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -11.521 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -84.373323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.373323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.373323 (E_RNA) where: Base-Base interactions energy: -32.291 where: short stacking energy: -32.291 Base-Backbone interact. energy: -0.162 local terms energy: -51.920374 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -10.779 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -81.498102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.498102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.498102 (E_RNA) where: Base-Base interactions energy: -36.999 where: short stacking energy: -36.999 Base-Backbone interact. energy: -0.058 local terms energy: -44.441393 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -78.071888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.071888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.071888 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -26.126 Base-Backbone interact. energy: -1.087 local terms energy: -47.384045 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -9.370 flat angles P-C4'-P energy: -8.834 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -87.950508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.950508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.950508 (E_RNA) where: Base-Base interactions energy: -47.843 where: short stacking energy: -40.329 Base-Backbone interact. energy: 0.293 local terms energy: -40.401360 where: bonds (distance) C4'-P energy: -5.537 bonds (distance) P-C4' energy: -11.049 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -7.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -74.228860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.228860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.228860 (E_RNA) where: Base-Base interactions energy: -33.654 where: short stacking energy: -33.654 Base-Backbone interact. energy: -0.103 local terms energy: -40.471636 where: bonds (distance) C4'-P energy: -5.756 bonds (distance) P-C4' energy: -12.789 flat angles C4'-P-C4' energy: -11.241 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -153.343484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.343484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.343484 (E_RNA) where: Base-Base interactions energy: -91.809 where: short stacking energy: -59.578 Base-Backbone interact. energy: -0.226 local terms energy: -61.308961 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -11.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -155.084986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.084986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.084986 (E_RNA) where: Base-Base interactions energy: -97.003 where: short stacking energy: -60.401 Base-Backbone interact. energy: 0.884 local terms energy: -58.965963 where: bonds (distance) C4'-P energy: -11.307 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -12.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -142.146097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.146097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.146097 (E_RNA) where: Base-Base interactions energy: -79.797 where: short stacking energy: -53.417 Base-Backbone interact. energy: -0.027 local terms energy: -62.321761 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -11.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -131.472194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.472194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.472194 (E_RNA) where: Base-Base interactions energy: -77.317 where: short stacking energy: -47.209 Base-Backbone interact. energy: 0.105 local terms energy: -54.260064 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -9.694 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -9.416 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: 5 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -105.622543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.622543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.622543 (E_RNA) where: Base-Base interactions energy: -44.372 where: short stacking energy: -44.372 Base-Backbone interact. energy: -0.018 local terms energy: -61.232214 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -11.244 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: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -96.095696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.095696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.095696 (E_RNA) where: Base-Base interactions energy: -47.390 where: short stacking energy: -39.518 Base-Backbone interact. energy: -0.011 local terms energy: -48.694860 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -8.214 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: 8 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -79.432790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.432790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.432790 (E_RNA) where: Base-Base interactions energy: -35.721 where: short stacking energy: -30.229 Base-Backbone interact. energy: -0.380 local terms energy: -43.331697 where: bonds (distance) C4'-P energy: -10.695 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -7.796 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: 8, replica: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -87.109369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.109369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.109369 (E_RNA) where: Base-Base interactions energy: -40.101 where: short stacking energy: -32.196 Base-Backbone interact. energy: -0.155 local terms energy: -46.852820 where: bonds (distance) C4'-P energy: -8.550 bonds (distance) P-C4' energy: -12.664 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -7.235 tors. eta vs tors. theta energy: -6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -82.010724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.010724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.010724 (E_RNA) where: Base-Base interactions energy: -31.122 where: short stacking energy: -31.122 Base-Backbone interact. energy: 0.045 local terms energy: -50.933771 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -11.855 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -73.007047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.007047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.007047 (E_RNA) where: Base-Base interactions energy: -29.000 where: short stacking energy: -25.227 Base-Backbone interact. energy: -0.261 local terms energy: -43.746290 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -11.277 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: 1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -164.921346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.921346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.921346 (E_RNA) where: Base-Base interactions energy: -97.541 where: short stacking energy: -62.613 Base-Backbone interact. energy: -0.114 local terms energy: -67.266309 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -10.050 tors. eta vs tors. theta energy: -18.211 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: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -154.721657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.721657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.721657 (E_RNA) where: Base-Base interactions energy: -91.182 where: short stacking energy: -61.122 Base-Backbone interact. energy: -0.186 local terms energy: -63.354281 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -13.559 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: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -153.798788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.798788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.798788 (E_RNA) where: Base-Base interactions energy: -95.417 where: short stacking energy: -58.718 Base-Backbone interact. energy: -0.011 local terms energy: -58.371196 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -10.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -139.843830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.843830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.843830 (E_RNA) where: Base-Base interactions energy: -88.237 where: short stacking energy: -48.510 Base-Backbone interact. energy: -0.671 local terms energy: -50.936151 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -11.143 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: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -109.435832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.435832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.435832 (E_RNA) where: Base-Base interactions energy: -59.771 where: short stacking energy: -59.771 Base-Backbone interact. energy: -0.004 local terms energy: -49.660968 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -6.878 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: 6, replica: 5 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -87.009261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.009261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.009261 (E_RNA) where: Base-Base interactions energy: -41.204 where: short stacking energy: -34.995 Base-Backbone interact. energy: -0.064 local terms energy: -45.741311 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -10.113 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -85.922706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.922706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.922706 (E_RNA) where: Base-Base interactions energy: -47.392 where: short stacking energy: -30.997 Base-Backbone interact. energy: -0.059 local terms energy: -38.472220 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: 0.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -79.172501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.172501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.172501 (E_RNA) where: Base-Base interactions energy: -31.436 where: short stacking energy: -31.436 Base-Backbone interact. energy: -0.009 local terms energy: -47.727629 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -12.743 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -6.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -77.543344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.543344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.543344 (E_RNA) where: Base-Base interactions energy: -34.007 where: short stacking energy: -24.879 Base-Backbone interact. energy: -0.775 local terms energy: -42.762020 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -9.821 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -89.972547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.972547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.972547 (E_RNA) where: Base-Base interactions energy: -40.782 where: short stacking energy: -40.782 Base-Backbone interact. energy: -0.078 local terms energy: -49.112511 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -161.118825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.118825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.118825 (E_RNA) where: Base-Base interactions energy: -97.885 where: short stacking energy: -61.712 Base-Backbone interact. energy: -0.016 local terms energy: -63.218098 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -9.062 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: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -156.838694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.838694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.838694 (E_RNA) where: Base-Base interactions energy: -98.708 where: short stacking energy: -57.049 Base-Backbone interact. energy: -0.122 local terms energy: -58.008420 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -10.435 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: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -142.630778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.630778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.630778 (E_RNA) where: Base-Base interactions energy: -89.457 where: short stacking energy: -53.077 Base-Backbone interact. energy: -0.140 local terms energy: -53.034125 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -13.208 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: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -109.898142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.898142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.898142 (E_RNA) where: Base-Base interactions energy: -53.532 where: short stacking energy: -53.532 Base-Backbone interact. energy: 0.789 local terms energy: -57.155573 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -12.142 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: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -120.581580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.581580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.581580 (E_RNA) where: Base-Base interactions energy: -74.658 where: short stacking energy: -46.760 Base-Backbone interact. energy: 0.230 local terms energy: -46.153125 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -8.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -89.960361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.960361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.960361 (E_RNA) where: Base-Base interactions energy: -41.790 where: short stacking energy: -29.511 Base-Backbone interact. energy: 1.160 local terms energy: -49.329753 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -11.481 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -94.867269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.867269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.867269 (E_RNA) where: Base-Base interactions energy: -41.833 where: short stacking energy: -36.046 Base-Backbone interact. energy: -0.222 local terms energy: -52.812535 where: bonds (distance) C4'-P energy: -9.222 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -10.172 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -9.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -81.338279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.338279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.338279 (E_RNA) where: Base-Base interactions energy: -34.918 where: short stacking energy: -34.918 Base-Backbone interact. energy: -0.013 local terms energy: -46.408047 where: bonds (distance) C4'-P energy: -9.313 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -5.819 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: 9, replica: 8 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -71.055521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.055521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.055521 (E_RNA) where: Base-Base interactions energy: -24.694 where: short stacking energy: -24.694 Base-Backbone interact. energy: -0.260 local terms energy: -46.101829 where: bonds (distance) C4'-P energy: -8.253 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -75.783127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.783127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.783127 (E_RNA) where: Base-Base interactions energy: -35.813 where: short stacking energy: -34.661 Base-Backbone interact. energy: -0.339 local terms energy: -39.631558 where: bonds (distance) C4'-P energy: -7.510 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -8.614 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: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -159.945904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.945904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.945904 (E_RNA) where: Base-Base interactions energy: -94.417 where: short stacking energy: -60.543 Base-Backbone interact. energy: -0.020 local terms energy: -65.508677 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -11.242 tors. eta vs tors. theta energy: -10.921 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: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -152.892484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.892484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.892484 (E_RNA) where: Base-Base interactions energy: -94.290 where: short stacking energy: -59.160 Base-Backbone interact. energy: -0.015 local terms energy: -58.588148 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -11.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -151.011638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.011638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.011638 (E_RNA) where: Base-Base interactions energy: -91.507 where: short stacking energy: -56.464 Base-Backbone interact. energy: -0.006 local terms energy: -59.498040 where: bonds (distance) C4'-P energy: -10.817 bonds (distance) P-C4' energy: -11.388 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -11.231 tors. eta vs tors. theta energy: -15.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -128.309456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.309456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.309456 (E_RNA) where: Base-Base interactions energy: -78.815 where: short stacking energy: -50.529 Base-Backbone interact. energy: -0.094 local terms energy: -49.400130 where: bonds (distance) C4'-P energy: -7.160 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -10.139 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -107.732587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.732587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.732587 (E_RNA) where: Base-Base interactions energy: -57.024 where: short stacking energy: -38.992 Base-Backbone interact. energy: -0.275 local terms energy: -50.433799 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -10.636 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -3.589 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: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -138.838015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.838015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.838015 (E_RNA) where: Base-Base interactions energy: -79.636 where: short stacking energy: -46.640 Base-Backbone interact. energy: -0.004 local terms energy: -59.198005 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -11.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -83.061953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.061953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.061953 (E_RNA) where: Base-Base interactions energy: -34.664 where: short stacking energy: -30.609 Base-Backbone interact. energy: -0.059 local terms energy: -48.338223 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -9.418 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -81.941368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.941368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.941368 (E_RNA) where: Base-Base interactions energy: -38.911 where: short stacking energy: -32.650 Base-Backbone interact. energy: -0.060 local terms energy: -42.970327 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -3.809 flat angles C4'-P-C4' energy: -11.745 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -86.881169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.881169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.881169 (E_RNA) where: Base-Base interactions energy: -43.563 where: short stacking energy: -36.078 Base-Backbone interact. energy: -0.060 local terms energy: -43.258447 where: bonds (distance) C4'-P energy: -11.008 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -10.713 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -2.582 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -73.286207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.286207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.286207 (E_RNA) where: Base-Base interactions energy: -24.749 where: short stacking energy: -22.791 Base-Backbone interact. energy: -0.647 local terms energy: -47.890135 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -11.977 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -158.882238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.882238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.882238 (E_RNA) where: Base-Base interactions energy: -96.071 where: short stacking energy: -61.945 Base-Backbone interact. energy: -0.173 local terms energy: -62.638046 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -10.164 tors. eta vs tors. theta energy: -12.181 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: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -150.289799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.289799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.289799 (E_RNA) where: Base-Base interactions energy: -88.153 where: short stacking energy: -57.966 Base-Backbone interact. energy: -0.022 local terms energy: -62.115060 where: bonds (distance) C4'-P energy: -11.362 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -12.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -151.626622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.626622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.626622 (E_RNA) where: Base-Base interactions energy: -93.570 where: short stacking energy: -60.898 Base-Backbone interact. energy: -0.004 local terms energy: -58.052725 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -8.418 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -15.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -150.665524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.665524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.665524 (E_RNA) where: Base-Base interactions energy: -93.520 where: short stacking energy: -58.615 Base-Backbone interact. energy: -0.356 local terms energy: -56.789533 where: bonds (distance) C4'-P energy: -8.091 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -6.618 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: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -123.117113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.117113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.117113 (E_RNA) where: Base-Base interactions energy: -65.099 where: short stacking energy: -54.091 Base-Backbone interact. energy: 0.755 local terms energy: -58.773164 where: bonds (distance) C4'-P energy: -8.540 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -16.605 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -10.594 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: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -134.521342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.521342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.521342 (E_RNA) where: Base-Base interactions energy: -83.074 where: short stacking energy: -50.982 Base-Backbone interact. energy: -0.008 local terms energy: -51.439472 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -10.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -94.200513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.200513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.200513 (E_RNA) where: Base-Base interactions energy: -48.777 where: short stacking energy: -28.582 Base-Backbone interact. energy: 0.550 local terms energy: -45.973343 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -84.815967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.815967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.815967 (E_RNA) where: Base-Base interactions energy: -33.604 where: short stacking energy: -29.633 Base-Backbone interact. energy: -0.357 local terms energy: -50.854352 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -81.018618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.018618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.018618 (E_RNA) where: Base-Base interactions energy: -34.542 where: short stacking energy: -34.542 Base-Backbone interact. energy: -0.163 local terms energy: -46.313586 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -10.232 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -7.457 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: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -86.605123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.605123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.605123 (E_RNA) where: Base-Base interactions energy: -37.307 where: short stacking energy: -31.932 Base-Backbone interact. energy: -0.077 local terms energy: -49.220562 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -150.219186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.219186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.219186 (E_RNA) where: Base-Base interactions energy: -85.930 where: short stacking energy: -55.784 Base-Backbone interact. energy: -0.042 local terms energy: -64.246865 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -11.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -146.198081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.198081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.198081 (E_RNA) where: Base-Base interactions energy: -86.763 where: short stacking energy: -48.958 Base-Backbone interact. energy: 0.476 local terms energy: -59.911252 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -10.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -137.197982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.197982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.197982 (E_RNA) where: Base-Base interactions energy: -78.697 where: short stacking energy: -45.502 Base-Backbone interact. energy: -0.478 local terms energy: -58.023097 where: bonds (distance) C4'-P energy: -12.103 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -112.051709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.051709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.051709 (E_RNA) where: Base-Base interactions energy: -66.425 where: short stacking energy: -42.943 Base-Backbone interact. energy: -0.223 local terms energy: -45.403922 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -10.235 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -137.105684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.105684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.105684 (E_RNA) where: Base-Base interactions energy: -85.516 where: short stacking energy: -51.826 Base-Backbone interact. energy: -0.068 local terms energy: -51.522455 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -11.792 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -9.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -100.295505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.295505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.295505 (E_RNA) where: Base-Base interactions energy: -43.791 where: short stacking energy: -43.791 Base-Backbone interact. energy: -0.098 local terms energy: -56.406637 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -110.031006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.031006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.031006 (E_RNA) where: Base-Base interactions energy: -49.619 where: short stacking energy: -49.619 Base-Backbone interact. energy: -0.002 local terms energy: -60.410063 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -11.429 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: 10 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -79.505728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.505728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.505728 (E_RNA) where: Base-Base interactions energy: -27.652 where: short stacking energy: -26.742 Base-Backbone interact. energy: -0.816 local terms energy: -51.038562 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -87.177700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.177700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.177700 (E_RNA) where: Base-Base interactions energy: -33.589 where: short stacking energy: -30.918 Base-Backbone interact. energy: -0.086 local terms energy: -53.502823 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -6.664 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: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -70.404292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.404292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.404292 (E_RNA) where: Base-Base interactions energy: -33.298 where: short stacking energy: -16.493 Base-Backbone interact. energy: 0.966 local terms energy: -38.072363 where: bonds (distance) C4'-P energy: -8.361 bonds (distance) P-C4' energy: -10.477 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: 2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -147.975233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.975233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.975233 (E_RNA) where: Base-Base interactions energy: -87.728 where: short stacking energy: -54.051 Base-Backbone interact. energy: -0.113 local terms energy: -60.133748 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -9.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -161.074847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.074847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.074847 (E_RNA) where: Base-Base interactions energy: -96.364 where: short stacking energy: -45.668 Base-Backbone interact. energy: -0.716 local terms energy: -63.995116 where: bonds (distance) C4'-P energy: -11.419 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -10.926 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: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -129.620453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.620453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.620453 (E_RNA) where: Base-Base interactions energy: -72.467 where: short stacking energy: -41.938 Base-Backbone interact. energy: -0.040 local terms energy: -57.112564 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -9.485 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: 219 Temperature: 1.050000 Total energy: -130.796084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.796084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.796084 (E_RNA) where: Base-Base interactions energy: -73.560 where: short stacking energy: -38.965 Base-Backbone interact. energy: -0.541 local terms energy: -56.694500 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -11.764 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -9.822 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: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -104.977485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.977485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.977485 (E_RNA) where: Base-Base interactions energy: -44.746 where: short stacking energy: -44.746 Base-Backbone interact. energy: -0.009 local terms energy: -60.222805 where: bonds (distance) C4'-P energy: -14.379 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -13.104 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: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -100.732781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.732781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.732781 (E_RNA) where: Base-Base interactions energy: -46.409 where: short stacking energy: -41.528 Base-Backbone interact. energy: -0.004 local terms energy: -54.319716 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -101.101914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.101914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.101914 (E_RNA) where: Base-Base interactions energy: -51.532 where: short stacking energy: -34.149 Base-Backbone interact. energy: -0.326 local terms energy: -49.244012 where: bonds (distance) C4'-P energy: -13.489 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -9.367 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -77.124777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.124777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.124777 (E_RNA) where: Base-Base interactions energy: -38.028 where: short stacking energy: -27.993 Base-Backbone interact. energy: 1.033 local terms energy: -40.129854 where: bonds (distance) C4'-P energy: -8.737 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -2.409 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: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -80.451898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.451898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.451898 (E_RNA) where: Base-Base interactions energy: -36.236 where: short stacking energy: -27.591 Base-Backbone interact. energy: -0.296 local terms energy: -43.919249 where: bonds (distance) C4'-P energy: -9.100 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -1.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -82.052766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.052766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.052766 (E_RNA) where: Base-Base interactions energy: -26.764 where: short stacking energy: -26.764 Base-Backbone interact. energy: -0.012 local terms energy: -55.276520 where: bonds (distance) C4'-P energy: -8.306 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -9.701 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: 1, replica: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -165.881655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.881655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.881655 (E_RNA) where: Base-Base interactions energy: -99.198 where: short stacking energy: -59.555 Base-Backbone interact. energy: -0.227 local terms energy: -66.456816 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -12.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -156.395895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.395895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.395895 (E_RNA) where: Base-Base interactions energy: -92.956 where: short stacking energy: -61.546 Base-Backbone interact. energy: -0.001 local terms energy: -63.438756 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -14.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -133.523192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.523192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.523192 (E_RNA) where: Base-Base interactions energy: -78.849 where: short stacking energy: -51.240 Base-Backbone interact. energy: 1.048 local terms energy: -55.722020 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -10.822 tors. eta vs tors. theta energy: -8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -128.127449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.127449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.127449 (E_RNA) where: Base-Base interactions energy: -70.627 where: short stacking energy: -47.257 Base-Backbone interact. energy: -0.812 local terms energy: -56.688322 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -11.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -99.022408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.022408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.022408 (E_RNA) where: Base-Base interactions energy: -49.515 where: short stacking energy: -46.246 Base-Backbone interact. energy: -0.022 local terms energy: -49.485112 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -11.504 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -6.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -104.008504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.008504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.008504 (E_RNA) where: Base-Base interactions energy: -48.629 where: short stacking energy: -48.130 Base-Backbone interact. energy: -0.001 local terms energy: -55.379224 where: bonds (distance) C4'-P energy: -8.873 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -11.598 tors. eta vs tors. theta energy: -9.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -87.635690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.635690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.635690 (E_RNA) where: Base-Base interactions energy: -34.073 where: short stacking energy: -28.924 Base-Backbone interact. energy: -0.533 local terms energy: -53.029487 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -109.574576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.574576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.574576 (E_RNA) where: Base-Base interactions energy: -64.082 where: short stacking energy: -36.687 Base-Backbone interact. energy: -0.026 local terms energy: -45.466742 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -78.918896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.918896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.918896 (E_RNA) where: Base-Base interactions energy: -30.662 where: short stacking energy: -30.662 Base-Backbone interact. energy: -0.256 local terms energy: -48.001120 where: bonds (distance) C4'-P energy: -9.808 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -79.688633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.688633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.688633 (E_RNA) where: Base-Base interactions energy: -34.859 where: short stacking energy: -29.901 Base-Backbone interact. energy: -0.153 local terms energy: -44.676536 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -161.220643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.220643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.220643 (E_RNA) where: Base-Base interactions energy: -92.538 where: short stacking energy: -62.737 Base-Backbone interact. energy: -0.058 local terms energy: -68.624451 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -15.871 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: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -147.579045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.579045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.579045 (E_RNA) where: Base-Base interactions energy: -89.063 where: short stacking energy: -54.284 Base-Backbone interact. energy: 0.973 local terms energy: -59.488489 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -10.484 tors. eta vs tors. theta energy: -10.264 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: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -152.109498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.109498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.109498 (E_RNA) where: Base-Base interactions energy: -93.224 where: short stacking energy: -54.117 Base-Backbone interact. energy: -0.007 local terms energy: -58.878885 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -16.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -146.668176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.668176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.668176 (E_RNA) where: Base-Base interactions energy: -87.424 where: short stacking energy: -65.497 Base-Backbone interact. energy: -0.010 local terms energy: -59.234538 where: bonds (distance) C4'-P energy: -8.476 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -10.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -99.704872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.704872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.704872 (E_RNA) where: Base-Base interactions energy: -47.732 where: short stacking energy: -46.632 Base-Backbone interact. energy: -0.229 local terms energy: -51.744260 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -12.864 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -91.561912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.561912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.561912 (E_RNA) where: Base-Base interactions energy: -43.872 where: short stacking energy: -32.377 Base-Backbone interact. energy: -0.666 local terms energy: -47.023575 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -89.177687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.177687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.177687 (E_RNA) where: Base-Base interactions energy: -42.910 where: short stacking energy: -36.408 Base-Backbone interact. energy: -0.120 local terms energy: -46.147950 where: bonds (distance) C4'-P energy: -8.365 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -115.259768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.259768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.259768 (E_RNA) where: Base-Base interactions energy: -76.739 where: short stacking energy: -43.559 Base-Backbone interact. energy: -0.012 local terms energy: -38.508795 where: bonds (distance) C4'-P energy: -5.942 bonds (distance) P-C4' energy: -9.202 flat angles C4'-P-C4' energy: -9.129 flat angles P-C4'-P energy: -4.225 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: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -75.719245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.719245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.719245 (E_RNA) where: Base-Base interactions energy: -35.685 where: short stacking energy: -31.041 Base-Backbone interact. energy: -0.063 local terms energy: -39.972053 where: bonds (distance) C4'-P energy: -8.013 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -72.751516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.751516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.751516 (E_RNA) where: Base-Base interactions energy: -30.497 where: short stacking energy: -29.591 Base-Backbone interact. energy: -0.010 local terms energy: -42.244889 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -10.228 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -7.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -169.995697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.995697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.995697 (E_RNA) where: Base-Base interactions energy: -102.904 where: short stacking energy: -60.676 Base-Backbone interact. energy: -0.078 local terms energy: -67.014006 where: bonds (distance) C4'-P energy: -15.866 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -17.416 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: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -159.466990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.466990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.466990 (E_RNA) where: Base-Base interactions energy: -96.101 where: short stacking energy: -62.960 Base-Backbone interact. energy: -0.000 local terms energy: -63.365696 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -13.347 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -7.748 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: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -147.589557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.589557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.589557 (E_RNA) where: Base-Base interactions energy: -88.225 where: short stacking energy: -58.177 Base-Backbone interact. energy: -0.004 local terms energy: -59.360345 where: bonds (distance) C4'-P energy: -8.580 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -14.743 flat angles P-C4'-P energy: -8.916 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: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -150.843311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.843311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.843311 (E_RNA) where: Base-Base interactions energy: -84.010 where: short stacking energy: -54.719 Base-Backbone interact. energy: -0.192 local terms energy: -66.641126 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -15.819 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: 5, replica: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -102.574653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.574653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.574653 (E_RNA) where: Base-Base interactions energy: -48.844 where: short stacking energy: -47.590 Base-Backbone interact. energy: -0.041 local terms energy: -53.689771 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -10.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -129.691198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.691198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.691198 (E_RNA) where: Base-Base interactions energy: -68.212 where: short stacking energy: -53.709 Base-Backbone interact. energy: -0.048 local terms energy: -61.431433 where: bonds (distance) C4'-P energy: -7.516 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -14.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -121.264284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.264284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.264284 (E_RNA) where: Base-Base interactions energy: -72.665 where: short stacking energy: -38.690 Base-Backbone interact. energy: -0.280 local terms energy: -48.318903 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -5.876 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: 8, replica: 2 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -79.615055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.615055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.615055 (E_RNA) where: Base-Base interactions energy: -31.475 where: short stacking energy: -28.418 Base-Backbone interact. energy: 0.174 local terms energy: -48.313729 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -10.769 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -71.706668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.706668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.706668 (E_RNA) where: Base-Base interactions energy: -31.863 where: short stacking energy: -29.312 Base-Backbone interact. energy: -0.270 local terms energy: -39.574365 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -9.265 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -78.613852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.613852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.613852 (E_RNA) where: Base-Base interactions energy: -27.212 where: short stacking energy: -21.229 Base-Backbone interact. energy: -0.185 local terms energy: -51.217494 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -178.814294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.814294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.814294 (E_RNA) where: Base-Base interactions energy: -112.437 where: short stacking energy: -66.436 Base-Backbone interact. energy: -0.001 local terms energy: -66.376141 where: bonds (distance) C4'-P energy: -11.768 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -18.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -157.869514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.869514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.869514 (E_RNA) where: Base-Base interactions energy: -94.661 where: short stacking energy: -66.352 Base-Backbone interact. energy: -0.008 local terms energy: -63.200368 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -9.481 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: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -139.773885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.773885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.773885 (E_RNA) where: Base-Base interactions energy: -80.371 where: short stacking energy: -48.983 Base-Backbone interact. energy: -0.653 local terms energy: -58.750045 where: bonds (distance) C4'-P energy: -15.713 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -10.970 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: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -144.792618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.792618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.792618 (E_RNA) where: Base-Base interactions energy: -86.320 where: short stacking energy: -57.152 Base-Backbone interact. energy: -0.000 local terms energy: -58.472935 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -14.794 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: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -118.964051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.964051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.964051 (E_RNA) where: Base-Base interactions energy: -72.406 where: short stacking energy: -35.828 Base-Backbone interact. energy: -0.210 local terms energy: -46.348243 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -1.947 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -125.218522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.218522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.218522 (E_RNA) where: Base-Base interactions energy: -76.138 where: short stacking energy: -39.460 Base-Backbone interact. energy: -0.222 local terms energy: -48.858534 where: bonds (distance) C4'-P energy: -10.925 bonds (distance) P-C4' energy: -10.281 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -7.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -95.775887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.775887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.775887 (E_RNA) where: Base-Base interactions energy: -48.640 where: short stacking energy: -34.978 Base-Backbone interact. energy: -0.202 local terms energy: -46.933665 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -86.499106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.499106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.499106 (E_RNA) where: Base-Base interactions energy: -50.525 where: short stacking energy: -38.947 Base-Backbone interact. energy: 0.968 local terms energy: -36.942626 where: bonds (distance) C4'-P energy: -7.376 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -5.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -73.352256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.352256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.352256 (E_RNA) where: Base-Base interactions energy: -33.688 where: short stacking energy: -33.688 Base-Backbone interact. energy: -0.017 local terms energy: -39.647184 where: bonds (distance) C4'-P energy: -10.526 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -8.287 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -83.207240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.207240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.207240 (E_RNA) where: Base-Base interactions energy: -34.455 where: short stacking energy: -22.669 Base-Backbone interact. energy: -0.765 local terms energy: -47.987168 where: bonds (distance) C4'-P energy: -10.562 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -15.167 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -2.380 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: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -159.615392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.615392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.615392 (E_RNA) where: Base-Base interactions energy: -92.467 where: short stacking energy: -62.618 Base-Backbone interact. energy: -0.155 local terms energy: -66.993803 where: bonds (distance) C4'-P energy: -13.179 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -14.170 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: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -165.045168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.045168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.045168 (E_RNA) where: Base-Base interactions energy: -100.692 where: short stacking energy: -66.897 Base-Backbone interact. energy: -0.001 local terms energy: -64.352271 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -16.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -132.986175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.986175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.986175 (E_RNA) where: Base-Base interactions energy: -76.872 where: short stacking energy: -48.044 Base-Backbone interact. energy: -0.106 local terms energy: -56.007635 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -9.660 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: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -112.773217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.773217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.773217 (E_RNA) where: Base-Base interactions energy: -66.064 where: short stacking energy: -36.820 Base-Backbone interact. energy: -0.192 local terms energy: -46.517216 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -9.362 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -4.420 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: 224 Temperature: 1.100000 Total energy: -139.038563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.038563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.038563 (E_RNA) where: Base-Base interactions energy: -87.028 where: short stacking energy: -46.294 Base-Backbone interact. energy: -0.527 local terms energy: -51.483998 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -9.057 flat angles P-C4'-P energy: -10.187 tors. eta vs tors. theta energy: -11.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -106.226060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.226060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.226060 (E_RNA) where: Base-Base interactions energy: -55.557 where: short stacking energy: -39.871 Base-Backbone interact. energy: -0.049 local terms energy: -50.619615 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -88.889899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.889899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.889899 (E_RNA) where: Base-Base interactions energy: -46.717 where: short stacking energy: -46.717 Base-Backbone interact. energy: -0.136 local terms energy: -42.037392 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -91.187093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.187093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.187093 (E_RNA) where: Base-Base interactions energy: -37.583 where: short stacking energy: -34.205 Base-Backbone interact. energy: -0.032 local terms energy: -53.572441 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -80.490778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.490778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.490778 (E_RNA) where: Base-Base interactions energy: -36.293 where: short stacking energy: -33.057 Base-Backbone interact. energy: -0.232 local terms energy: -43.964846 where: bonds (distance) C4'-P energy: -3.963 bonds (distance) P-C4' energy: -11.995 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -65.979477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.979477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.979477 (E_RNA) where: Base-Base interactions energy: -24.595 where: short stacking energy: -24.595 Base-Backbone interact. energy: -0.209 local terms energy: -41.175043 where: bonds (distance) C4'-P energy: -6.662 bonds (distance) P-C4' energy: -11.755 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -2.202 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: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -166.720194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.720194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.720194 (E_RNA) where: Base-Base interactions energy: -98.893 where: short stacking energy: -62.832 Base-Backbone interact. energy: -0.000 local terms energy: -67.827110 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -17.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -147.439559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.439559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.439559 (E_RNA) where: Base-Base interactions energy: -90.639 where: short stacking energy: -58.559 Base-Backbone interact. energy: -0.001 local terms energy: -56.799370 where: bonds (distance) C4'-P energy: -13.386 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -15.426 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: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -156.015862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.015862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.015862 (E_RNA) where: Base-Base interactions energy: -95.626 where: short stacking energy: -63.739 Base-Backbone interact. energy: 0.382 local terms energy: -60.771890 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -16.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -141.603907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.603907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.603907 (E_RNA) where: Base-Base interactions energy: -81.959 where: short stacking energy: -51.859 Base-Backbone interact. energy: -0.240 local terms energy: -59.405729 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -11.634 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -8.089 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: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -135.603949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.603949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.603949 (E_RNA) where: Base-Base interactions energy: -77.791 where: short stacking energy: -48.453 Base-Backbone interact. energy: 0.762 local terms energy: -58.575108 where: bonds (distance) C4'-P energy: -16.478 bonds (distance) P-C4' energy: -10.442 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -9.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -94.130933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.130933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.130933 (E_RNA) where: Base-Base interactions energy: -41.780 where: short stacking energy: -39.687 Base-Backbone interact. energy: -0.064 local terms energy: -52.287158 where: bonds (distance) C4'-P energy: -7.333 bonds (distance) P-C4' energy: -11.471 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -7.863 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: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -91.816980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.816980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.816980 (E_RNA) where: Base-Base interactions energy: -43.420 where: short stacking energy: -41.598 Base-Backbone interact. energy: -0.133 local terms energy: -48.264175 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -10.726 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -83.353175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.353175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.353175 (E_RNA) where: Base-Base interactions energy: -36.552 where: short stacking energy: -31.456 Base-Backbone interact. energy: -0.215 local terms energy: -46.586553 where: bonds (distance) C4'-P energy: -14.363 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -76.646291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.646291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.646291 (E_RNA) where: Base-Base interactions energy: -31.541 where: short stacking energy: -26.847 Base-Backbone interact. energy: -0.355 local terms energy: -44.749607 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -10.069 tors. eta vs tors. theta energy: -3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -77.018416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.018416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.018416 (E_RNA) where: Base-Base interactions energy: -30.584 where: short stacking energy: -31.242 Base-Backbone interact. energy: -1.358 local terms energy: -45.076852 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -6.974 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: 9 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -163.777181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.777181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.777181 (E_RNA) where: Base-Base interactions energy: -101.522 where: short stacking energy: -67.950 Base-Backbone interact. energy: 0.804 local terms energy: -63.058661 where: bonds (distance) C4'-P energy: -12.211 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -13.674 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -14.193 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: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -138.813527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.813527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.813527 (E_RNA) where: Base-Base interactions energy: -80.192 where: short stacking energy: -48.257 Base-Backbone interact. energy: -0.017 local terms energy: -58.604924 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -11.355 flat angles P-C4'-P energy: -11.873 tors. eta vs tors. theta energy: -8.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -150.373236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.373236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.373236 (E_RNA) where: Base-Base interactions energy: -90.351 where: short stacking energy: -55.490 Base-Backbone interact. energy: -0.046 local terms energy: -59.975954 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -8.836 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -151.515870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.515870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.515870 (E_RNA) where: Base-Base interactions energy: -90.905 where: short stacking energy: -54.570 Base-Backbone interact. energy: -0.042 local terms energy: -60.568534 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -9.677 tors. eta vs tors. theta energy: -11.326 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: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -122.853342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.853342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.853342 (E_RNA) where: Base-Base interactions energy: -69.684 where: short stacking energy: -43.311 Base-Backbone interact. energy: -0.039 local terms energy: -53.130010 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -6.574 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -99.176775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.176775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.176775 (E_RNA) where: Base-Base interactions energy: -45.056 where: short stacking energy: -45.056 Base-Backbone interact. energy: -0.015 local terms energy: -54.105296 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -10.043 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -14.656 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: 7, replica: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -82.230544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.230544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.230544 (E_RNA) where: Base-Base interactions energy: -38.466 where: short stacking energy: -37.814 Base-Backbone interact. energy: -0.087 local terms energy: -43.677460 where: bonds (distance) C4'-P energy: -6.253 bonds (distance) P-C4' energy: -9.491 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -8.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -82.841593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.841593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.841593 (E_RNA) where: Base-Base interactions energy: -35.862 where: short stacking energy: -33.994 Base-Backbone interact. energy: 1.157 local terms energy: -48.137024 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -11.550 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -7.709 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: 5 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -87.553340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.553340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.553340 (E_RNA) where: Base-Base interactions energy: -37.298 where: short stacking energy: -35.980 Base-Backbone interact. energy: -0.082 local terms energy: -50.172952 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -11.829 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -75.179699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.179699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.179699 (E_RNA) where: Base-Base interactions energy: -28.201 where: short stacking energy: -28.201 Base-Backbone interact. energy: -0.067 local terms energy: -46.911823 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -3.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -163.186223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.186223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.186223 (E_RNA) where: Base-Base interactions energy: -97.224 where: short stacking energy: -64.004 Base-Backbone interact. energy: -0.003 local terms energy: -65.958844 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -11.374 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: 2, replica: 3 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -159.345551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.345551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.345551 (E_RNA) where: Base-Base interactions energy: -98.523 where: short stacking energy: -61.641 Base-Backbone interact. energy: 0.067 local terms energy: -60.889949 where: bonds (distance) C4'-P energy: -12.347 bonds (distance) P-C4' energy: -10.323 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -9.372 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: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -133.241349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.241349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.241349 (E_RNA) where: Base-Base interactions energy: -77.033 where: short stacking energy: -49.163 Base-Backbone interact. energy: -0.067 local terms energy: -56.141856 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -14.642 flat angles C4'-P-C4' energy: -12.408 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -8.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -139.041258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.041258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.041258 (E_RNA) where: Base-Base interactions energy: -76.968 where: short stacking energy: -56.814 Base-Backbone interact. energy: -0.010 local terms energy: -62.063652 where: bonds (distance) C4'-P energy: -16.006 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -11.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -148.387397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.387397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.387397 (E_RNA) where: Base-Base interactions energy: -88.562 where: short stacking energy: -59.975 Base-Backbone interact. energy: 0.325 local terms energy: -60.150054 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -7.847 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: 6, replica: 10 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -79.912738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.912738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.912738 (E_RNA) where: Base-Base interactions energy: -35.145 where: short stacking energy: -35.145 Base-Backbone interact. energy: 1.886 local terms energy: -46.653609 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -10.426 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -100.224965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.224965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.224965 (E_RNA) where: Base-Base interactions energy: -65.174 where: short stacking energy: -36.784 Base-Backbone interact. energy: -0.311 local terms energy: -34.739421 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -9.400 flat angles C4'-P-C4' energy: -9.831 flat angles P-C4'-P energy: 2.733 tors. eta vs tors. theta energy: -7.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -83.964765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.964765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.964765 (E_RNA) where: Base-Base interactions energy: -34.870 where: short stacking energy: -33.957 Base-Backbone interact. energy: -0.321 local terms energy: -48.774101 where: bonds (distance) C4'-P energy: -12.140 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -9.774 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: 9, replica: 5 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -89.647768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.647768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.647768 (E_RNA) where: Base-Base interactions energy: -51.037 where: short stacking energy: -27.037 Base-Backbone interact. energy: -0.025 local terms energy: -38.585856 where: bonds (distance) C4'-P energy: -6.072 bonds (distance) P-C4' energy: -12.946 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -68.658269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.658269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.658269 (E_RNA) where: Base-Base interactions energy: -28.282 where: short stacking energy: -25.471 Base-Backbone interact. energy: -0.196 local terms energy: -40.180318 where: bonds (distance) C4'-P energy: -7.843 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -165.973780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.973780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.973780 (E_RNA) where: Base-Base interactions energy: -97.280 where: short stacking energy: -64.852 Base-Backbone interact. energy: -0.000 local terms energy: -68.694023 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -17.296 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: 3 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -151.918644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.918644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.918644 (E_RNA) where: Base-Base interactions energy: -95.737 where: short stacking energy: -50.518 Base-Backbone interact. energy: -0.703 local terms energy: -55.478985 where: bonds (distance) C4'-P energy: -9.780 bonds (distance) P-C4' energy: -12.459 flat angles C4'-P-C4' energy: -10.677 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -14.118 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: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -156.092200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.092200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.092200 (E_RNA) where: Base-Base interactions energy: -95.918 where: short stacking energy: -66.350 Base-Backbone interact. energy: -0.014 local terms energy: -60.159964 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -5.869 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: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -137.363625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.363625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.363625 (E_RNA) where: Base-Base interactions energy: -78.763 where: short stacking energy: -53.058 Base-Backbone interact. energy: -0.323 local terms energy: -58.278330 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -10.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -139.183607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.183607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.183607 (E_RNA) where: Base-Base interactions energy: -85.314 where: short stacking energy: -46.729 Base-Backbone interact. energy: -0.001 local terms energy: -53.868688 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -9.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -118.855693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.855693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.855693 (E_RNA) where: Base-Base interactions energy: -66.864 where: short stacking energy: -43.437 Base-Backbone interact. energy: -0.229 local terms energy: -51.763078 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -9.594 flat angles P-C4'-P energy: -8.338 tors. eta vs tors. theta energy: -6.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -94.885043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.885043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.885043 (E_RNA) where: Base-Base interactions energy: -44.670 where: short stacking energy: -40.046 Base-Backbone interact. energy: 0.642 local terms energy: -50.856725 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -89.226851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.226851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.226851 (E_RNA) where: Base-Base interactions energy: -35.589 where: short stacking energy: -33.037 Base-Backbone interact. energy: -0.151 local terms energy: -53.487740 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -8.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -77.942806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.942806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.942806 (E_RNA) where: Base-Base interactions energy: -35.105 where: short stacking energy: -35.105 Base-Backbone interact. energy: -0.135 local terms energy: -42.702452 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -10.042 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -72.620345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.620345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.620345 (E_RNA) where: Base-Base interactions energy: -33.591 where: short stacking energy: -24.547 Base-Backbone interact. energy: -0.155 local terms energy: -38.874049 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -9.577 flat angles P-C4'-P energy: 1.544 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -167.135168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.135168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.135168 (E_RNA) where: Base-Base interactions energy: -100.773 where: short stacking energy: -66.527 Base-Backbone interact. energy: -0.041 local terms energy: -66.320961 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -17.069 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: 229 Temperature: 0.950000 Total energy: -153.648024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.648024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.648024 (E_RNA) where: Base-Base interactions energy: -96.959 where: short stacking energy: -56.102 Base-Backbone interact. energy: -0.324 local terms energy: -56.365211 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -14.944 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: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -153.710892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.710892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.710892 (E_RNA) where: Base-Base interactions energy: -89.013 where: short stacking energy: -60.839 Base-Backbone interact. energy: -0.020 local terms energy: -64.677250 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -7.267 tors. eta vs tors. theta energy: -14.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -133.694957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.694957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.694957 (E_RNA) where: Base-Base interactions energy: -78.575 where: short stacking energy: -44.028 Base-Backbone interact. energy: -0.103 local terms energy: -55.016728 where: bonds (distance) C4'-P energy: -11.122 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -9.424 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: 229 Temperature: 1.100000 Total energy: -130.920581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.920581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.920581 (E_RNA) where: Base-Base interactions energy: -78.000 where: short stacking energy: -54.772 Base-Backbone interact. energy: -0.084 local terms energy: -52.835975 where: bonds (distance) C4'-P energy: -7.462 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -14.914 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -93.409000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.409000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.409000 (E_RNA) where: Base-Base interactions energy: -43.139 where: short stacking energy: -36.482 Base-Backbone interact. energy: -0.004 local terms energy: -50.266227 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -8.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -115.505779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.505779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.505779 (E_RNA) where: Base-Base interactions energy: -65.434 where: short stacking energy: -36.883 Base-Backbone interact. energy: -0.082 local terms energy: -49.988982 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: -3.589 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: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -86.542845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.542845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.542845 (E_RNA) where: Base-Base interactions energy: -33.056 where: short stacking energy: -33.056 Base-Backbone interact. energy: -0.036 local terms energy: -53.450838 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -10.840 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -10.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -84.401999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.401999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.401999 (E_RNA) where: Base-Base interactions energy: -38.885 where: short stacking energy: -33.219 Base-Backbone interact. energy: 0.283 local terms energy: -45.800072 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -73.292830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.292830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.292830 (E_RNA) where: Base-Base interactions energy: -36.044 where: short stacking energy: -34.672 Base-Backbone interact. energy: -0.814 local terms energy: -36.435359 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -1.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -151.112618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.112618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.112618 (E_RNA) where: Base-Base interactions energy: -85.054 where: short stacking energy: -54.834 Base-Backbone interact. energy: 3.255 local terms energy: -69.313152 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -12.276 tors. eta vs tors. theta energy: -13.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -156.173307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.173307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.173307 (E_RNA) where: Base-Base interactions energy: -95.552 where: short stacking energy: -52.782 Base-Backbone interact. energy: -0.057 local terms energy: -60.564687 where: bonds (distance) C4'-P energy: -8.356 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -11.603 tors. eta vs tors. theta energy: -14.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -152.630000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.630000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.630000 (E_RNA) where: Base-Base interactions energy: -90.269 where: short stacking energy: -58.112 Base-Backbone interact. energy: -0.171 local terms energy: -62.189268 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -13.330 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: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -136.916350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.916350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.916350 (E_RNA) where: Base-Base interactions energy: -84.616 where: short stacking energy: -53.620 Base-Backbone interact. energy: -0.854 local terms energy: -51.446956 where: bonds (distance) C4'-P energy: -9.904 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -11.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -105.728789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.728789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.728789 (E_RNA) where: Base-Base interactions energy: -48.174 where: short stacking energy: -46.460 Base-Backbone interact. energy: -0.173 local terms energy: -57.381500 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -9.455 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -11.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -92.479763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.479763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.479763 (E_RNA) where: Base-Base interactions energy: -39.583 where: short stacking energy: -35.830 Base-Backbone interact. energy: -0.081 local terms energy: -52.815644 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -8.757 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -9.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -85.881474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.881474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.881474 (E_RNA) where: Base-Base interactions energy: -43.546 where: short stacking energy: -33.446 Base-Backbone interact. energy: -0.256 local terms energy: -42.078716 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -10.400 flat angles C4'-P-C4' energy: -10.494 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -82.292131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.292131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.292131 (E_RNA) where: Base-Base interactions energy: -33.680 where: short stacking energy: -33.680 Base-Backbone interact. energy: -0.405 local terms energy: -48.206793 where: bonds (distance) C4'-P energy: -11.282 bonds (distance) P-C4' energy: -10.910 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -81.260827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.260827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.260827 (E_RNA) where: Base-Base interactions energy: -37.282 where: short stacking energy: -37.208 Base-Backbone interact. energy: -0.090 local terms energy: -43.889193 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -6.895 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -82.260525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.260525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.260525 (E_RNA) where: Base-Base interactions energy: -33.035 where: short stacking energy: -30.632 Base-Backbone interact. energy: -0.127 local terms energy: -49.098416 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -147.680567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.680567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.680567 (E_RNA) where: Base-Base interactions energy: -84.339 where: short stacking energy: -57.933 Base-Backbone interact. energy: -0.001 local terms energy: -63.340038 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -11.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -147.333344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.333344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.333344 (E_RNA) where: Base-Base interactions energy: -93.499 where: short stacking energy: -62.008 Base-Backbone interact. energy: -0.246 local terms energy: -53.588384 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -7.703 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: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -148.865023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.865023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.865023 (E_RNA) where: Base-Base interactions energy: -86.433 where: short stacking energy: -54.479 Base-Backbone interact. energy: -0.632 local terms energy: -61.800017 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -15.696 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -9.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -156.832029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.832029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.832029 (E_RNA) where: Base-Base interactions energy: -94.570 where: short stacking energy: -62.488 Base-Backbone interact. energy: -0.000 local terms energy: -62.261430 where: bonds (distance) C4'-P energy: -14.280 bonds (distance) P-C4' energy: -10.090 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -9.236 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: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -91.806451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.806451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.806451 (E_RNA) where: Base-Base interactions energy: -37.529 where: short stacking energy: -36.160 Base-Backbone interact. energy: -0.205 local terms energy: -54.072554 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -7.033 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -99.263527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.263527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.263527 (E_RNA) where: Base-Base interactions energy: -45.599 where: short stacking energy: -44.464 Base-Backbone interact. energy: 0.858 local terms energy: -54.522746 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -8.174 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: 231 Temperature: 1.200000 Total energy: -87.535150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.535150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.535150 (E_RNA) where: Base-Base interactions energy: -43.109 where: short stacking energy: -42.236 Base-Backbone interact. energy: -0.002 local terms energy: -44.424229 where: bonds (distance) C4'-P energy: -9.052 bonds (distance) P-C4' energy: -9.946 flat angles C4'-P-C4' energy: -13.275 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -94.885814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.885814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.885814 (E_RNA) where: Base-Base interactions energy: -43.346 where: short stacking energy: -34.629 Base-Backbone interact. energy: -0.656 local terms energy: -50.884498 where: bonds (distance) C4'-P energy: -14.525 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -71.085163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.085163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.085163 (E_RNA) where: Base-Base interactions energy: -37.457 where: short stacking energy: -29.013 Base-Backbone interact. energy: -0.659 local terms energy: -32.969469 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -8.968 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -1.659 tors. eta vs tors. theta energy: -0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -83.499883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.499883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.499883 (E_RNA) where: Base-Base interactions energy: -40.620 where: short stacking energy: -40.333 Base-Backbone interact. energy: -0.175 local terms energy: -42.704313 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -8.827 flat angles C4'-P-C4' energy: -9.628 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -149.723292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.723292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.723292 (E_RNA) where: Base-Base interactions energy: -84.203 where: short stacking energy: -59.775 Base-Backbone interact. energy: -0.108 local terms energy: -65.412466 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -12.242 tors. eta vs tors. theta energy: -11.793 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: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -146.341830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.341830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.341830 (E_RNA) where: Base-Base interactions energy: -87.762 where: short stacking energy: -61.273 Base-Backbone interact. energy: -0.363 local terms energy: -58.216424 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -11.375 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -15.398 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: 7 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -156.395529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.395529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.395529 (E_RNA) where: Base-Base interactions energy: -91.106 where: short stacking energy: -61.848 Base-Backbone interact. energy: -0.037 local terms energy: -65.253160 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -15.020 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -14.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -137.682865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.682865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.682865 (E_RNA) where: Base-Base interactions energy: -83.027 where: short stacking energy: -49.403 Base-Backbone interact. energy: 0.136 local terms energy: -54.791203 where: bonds (distance) C4'-P energy: -7.333 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -11.635 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: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -108.246040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.246040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.246040 (E_RNA) where: Base-Base interactions energy: -57.421 where: short stacking energy: -43.474 Base-Backbone interact. energy: -1.097 local terms energy: -49.728378 where: bonds (distance) C4'-P energy: -9.602 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -12.056 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -99.773503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.773503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.773503 (E_RNA) where: Base-Base interactions energy: -47.355 where: short stacking energy: -42.624 Base-Backbone interact. energy: -0.224 local terms energy: -52.194623 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -11.418 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -86.984566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.984566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.984566 (E_RNA) where: Base-Base interactions energy: -41.186 where: short stacking energy: -27.745 Base-Backbone interact. energy: -0.188 local terms energy: -45.611107 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -10.547 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -11.989 tors. eta vs tors. theta energy: 1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -82.870361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.870361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.870361 (E_RNA) where: Base-Base interactions energy: -43.752 where: short stacking energy: -17.800 Base-Backbone interact. energy: 1.038 local terms energy: -40.156706 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: 4.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -87.858243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.858243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.858243 (E_RNA) where: Base-Base interactions energy: -35.278 where: short stacking energy: -35.266 Base-Backbone interact. energy: 1.365 local terms energy: -53.944819 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -7.985 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: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -75.845978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.845978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.845978 (E_RNA) where: Base-Base interactions energy: -31.431 where: short stacking energy: -29.605 Base-Backbone interact. energy: -0.052 local terms energy: -44.362465 where: bonds (distance) C4'-P energy: -10.791 bonds (distance) P-C4' energy: -13.590 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -3.376 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: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -165.468292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.468292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.468292 (E_RNA) where: Base-Base interactions energy: -92.928 where: short stacking energy: -63.200 Base-Backbone interact. energy: -0.025 local terms energy: -72.514961 where: bonds (distance) C4'-P energy: -15.928 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -14.087 flat angles P-C4'-P energy: -12.880 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: 2, replica: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -153.783498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.783498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.783498 (E_RNA) where: Base-Base interactions energy: -90.000 where: short stacking energy: -54.091 Base-Backbone interact. energy: -0.000 local terms energy: -63.782675 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -12.906 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -6.800 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: 3, replica: 9 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -143.963631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.963631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.963631 (E_RNA) where: Base-Base interactions energy: -82.839 where: short stacking energy: -51.327 Base-Backbone interact. energy: -0.009 local terms energy: -61.115326 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -8.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -148.174866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.174866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.174866 (E_RNA) where: Base-Base interactions energy: -90.141 where: short stacking energy: -58.994 Base-Backbone interact. energy: -0.479 local terms energy: -57.555749 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -10.987 flat angles P-C4'-P energy: -8.809 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: 5, replica: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -85.309007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.309007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.309007 (E_RNA) where: Base-Base interactions energy: -33.386 where: short stacking energy: -32.055 Base-Backbone interact. energy: -0.811 local terms energy: -51.111825 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -3.100 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: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -90.445524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.445524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.445524 (E_RNA) where: Base-Base interactions energy: -38.013 where: short stacking energy: -38.013 Base-Backbone interact. energy: -0.091 local terms energy: -52.341728 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -10.934 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -8.066 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: 4 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -86.102125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.102125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.102125 (E_RNA) where: Base-Base interactions energy: -33.378 where: short stacking energy: -33.378 Base-Backbone interact. energy: -0.115 local terms energy: -52.609370 where: bonds (distance) C4'-P energy: -15.411 bonds (distance) P-C4' energy: -11.724 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -9.229 tors. eta vs tors. theta energy: -7.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -86.350080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.350080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.350080 (E_RNA) where: Base-Base interactions energy: -34.666 where: short stacking energy: -34.375 Base-Backbone interact. energy: -0.144 local terms energy: -51.540517 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -12.336 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -79.627996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.627996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.627996 (E_RNA) where: Base-Base interactions energy: -37.254 where: short stacking energy: -33.020 Base-Backbone interact. energy: -0.325 local terms energy: -42.048822 where: bonds (distance) C4'-P energy: -9.797 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -84.257072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.257072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.257072 (E_RNA) where: Base-Base interactions energy: -43.608 where: short stacking energy: -32.728 Base-Backbone interact. energy: -0.006 local terms energy: -40.642982 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -4.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -167.143971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.143971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.143971 (E_RNA) where: Base-Base interactions energy: -103.079 where: short stacking energy: -68.104 Base-Backbone interact. energy: -0.000 local terms energy: -64.064622 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -15.780 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: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -149.739614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.739614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.739614 (E_RNA) where: Base-Base interactions energy: -88.879 where: short stacking energy: -57.039 Base-Backbone interact. energy: 0.159 local terms energy: -61.019908 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -11.323 flat angles P-C4'-P energy: -11.637 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: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -145.317796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.317796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.317796 (E_RNA) where: Base-Base interactions energy: -84.032 where: short stacking energy: -51.824 Base-Backbone interact. energy: -0.092 local terms energy: -61.193949 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -12.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -146.416237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.416237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.416237 (E_RNA) where: Base-Base interactions energy: -87.945 where: short stacking energy: -59.709 Base-Backbone interact. energy: -0.065 local terms energy: -58.406231 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -9.890 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -10.574 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: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -97.177257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.177257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.177257 (E_RNA) where: Base-Base interactions energy: -45.386 where: short stacking energy: -43.280 Base-Backbone interact. energy: 1.800 local terms energy: -53.590815 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -6.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -99.213808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.213808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.213808 (E_RNA) where: Base-Base interactions energy: -46.667 where: short stacking energy: -44.833 Base-Backbone interact. energy: -0.010 local terms energy: -52.536981 where: bonds (distance) C4'-P energy: -10.140 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -9.559 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: 7, replica: 1 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -85.331483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.331483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.331483 (E_RNA) where: Base-Base interactions energy: -31.300 where: short stacking energy: -27.734 Base-Backbone interact. energy: -0.093 local terms energy: -53.938450 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -13.275 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -8.749 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: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -86.259602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.259602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.259602 (E_RNA) where: Base-Base interactions energy: -38.360 where: short stacking energy: -34.793 Base-Backbone interact. energy: -0.139 local terms energy: -47.760836 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -14.495 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -8.515 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: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -70.091336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.091336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.091336 (E_RNA) where: Base-Base interactions energy: -26.331 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.235 local terms energy: -43.525740 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -3.022 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: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -101.699434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.699434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.699434 (E_RNA) where: Base-Base interactions energy: -54.496 where: short stacking energy: -39.115 Base-Backbone interact. energy: -1.548 local terms energy: -45.655553 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -10.573 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: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -171.094212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.094212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.094212 (E_RNA) where: Base-Base interactions energy: -105.589 where: short stacking energy: -69.053 Base-Backbone interact. energy: -0.000 local terms energy: -65.505325 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -11.256 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -9.804 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: 2, replica: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -149.127640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.127640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.127640 (E_RNA) where: Base-Base interactions energy: -88.474 where: short stacking energy: -52.818 Base-Backbone interact. energy: -1.196 local terms energy: -59.457659 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -10.155 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: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -138.103669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.103669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.103669 (E_RNA) where: Base-Base interactions energy: -86.038 where: short stacking energy: -50.717 Base-Backbone interact. energy: -0.131 local terms energy: -51.934529 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -7.809 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: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -136.170726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.170726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.170726 (E_RNA) where: Base-Base interactions energy: -81.925 where: short stacking energy: -54.536 Base-Backbone interact. energy: 0.243 local terms energy: -54.488447 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -92.817885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.817885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.817885 (E_RNA) where: Base-Base interactions energy: -39.040 where: short stacking energy: -34.479 Base-Backbone interact. energy: -0.011 local terms energy: -53.767547 where: bonds (distance) C4'-P energy: -15.882 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: 2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -89.766653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.766653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.766653 (E_RNA) where: Base-Base interactions energy: -44.071 where: short stacking energy: -35.786 Base-Backbone interact. energy: -0.014 local terms energy: -45.681350 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -8.714 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -87.309195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.309195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.309195 (E_RNA) where: Base-Base interactions energy: -45.870 where: short stacking energy: -39.666 Base-Backbone interact. energy: -0.047 local terms energy: -41.392717 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -12.746 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -75.497776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.497776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.497776 (E_RNA) where: Base-Base interactions energy: -36.327 where: short stacking energy: -24.556 Base-Backbone interact. energy: -0.515 local terms energy: -38.655293 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -10.431 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: 0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -86.315593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.315593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.315593 (E_RNA) where: Base-Base interactions energy: -39.688 where: short stacking energy: -39.688 Base-Backbone interact. energy: -0.077 local terms energy: -46.549868 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -67.083431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.083431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.083431 (E_RNA) where: Base-Base interactions energy: -30.250 where: short stacking energy: -29.918 Base-Backbone interact. energy: -0.103 local terms energy: -36.730495 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -10.309 flat angles C4'-P-C4' energy: -8.836 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -166.032887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.032887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.032887 (E_RNA) where: Base-Base interactions energy: -102.270 where: short stacking energy: -68.569 Base-Backbone interact. energy: -0.000 local terms energy: -63.762284 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -12.871 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -15.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -164.042397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.042397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.042397 (E_RNA) where: Base-Base interactions energy: -99.826 where: short stacking energy: -64.517 Base-Backbone interact. energy: -0.022 local terms energy: -64.194130 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -11.521 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -16.698 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: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -137.766761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.766761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.766761 (E_RNA) where: Base-Base interactions energy: -79.225 where: short stacking energy: -45.637 Base-Backbone interact. energy: -0.003 local terms energy: -58.538182 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -13.458 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: 6 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -142.803849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.803849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.803849 (E_RNA) where: Base-Base interactions energy: -80.708 where: short stacking energy: -47.649 Base-Backbone interact. energy: -0.012 local terms energy: -62.083789 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -13.770 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -10.599 tors. eta vs tors. theta energy: -10.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -103.556270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.556270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.556270 (E_RNA) where: Base-Base interactions energy: -57.670 where: short stacking energy: -35.989 Base-Backbone interact. energy: -0.480 local terms energy: -45.406557 where: bonds (distance) C4'-P energy: -8.815 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -6.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -91.290645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.290645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.290645 (E_RNA) where: Base-Base interactions energy: -41.933 where: short stacking energy: -41.933 Base-Backbone interact. energy: -0.005 local terms energy: -49.353067 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -10.486 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -9.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -99.788485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.788485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.788485 (E_RNA) where: Base-Base interactions energy: -50.127 where: short stacking energy: -50.127 Base-Backbone interact. energy: -0.012 local terms energy: -49.649606 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -9.487 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: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -114.831183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.831183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.831183 (E_RNA) where: Base-Base interactions energy: -60.965 where: short stacking energy: -38.589 Base-Backbone interact. energy: -0.181 local terms energy: -53.685555 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -9.775 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -7.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -76.135810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.135810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.135810 (E_RNA) where: Base-Base interactions energy: -32.703 where: short stacking energy: -28.172 Base-Backbone interact. energy: -0.100 local terms energy: -43.332050 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -9.560 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -78.663391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.663391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.663391 (E_RNA) where: Base-Base interactions energy: -31.303 where: short stacking energy: -27.984 Base-Backbone interact. energy: -0.087 local terms energy: -47.273573 where: bonds (distance) C4'-P energy: -12.310 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -3.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -160.764326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.764326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.764326 (E_RNA) where: Base-Base interactions energy: -100.818 where: short stacking energy: -69.683 Base-Backbone interact. energy: -0.575 local terms energy: -59.370849 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -11.632 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: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -150.706458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.706458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.706458 (E_RNA) where: Base-Base interactions energy: -91.941 where: short stacking energy: -58.406 Base-Backbone interact. energy: -0.009 local terms energy: -58.756056 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -12.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -156.504675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.504675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.504675 (E_RNA) where: Base-Base interactions energy: -90.766 where: short stacking energy: -60.968 Base-Backbone interact. energy: -0.000 local terms energy: -65.738705 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -14.991 flat angles P-C4'-P energy: -9.477 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: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -117.794579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.794579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.794579 (E_RNA) where: Base-Base interactions energy: -64.735 where: short stacking energy: -54.656 Base-Backbone interact. energy: -0.026 local terms energy: -53.033281 where: bonds (distance) C4'-P energy: -10.790 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -130.351299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.351299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.351299 (E_RNA) where: Base-Base interactions energy: -77.839 where: short stacking energy: -47.027 Base-Backbone interact. energy: -0.489 local terms energy: -52.023364 where: bonds (distance) C4'-P energy: -9.152 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.925 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -10.401 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: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -96.775714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.775714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.775714 (E_RNA) where: Base-Base interactions energy: -46.100 where: short stacking energy: -45.424 Base-Backbone interact. energy: -0.042 local terms energy: -50.633301 where: bonds (distance) C4'-P energy: -9.809 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -7.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -82.398946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.398946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.398946 (E_RNA) where: Base-Base interactions energy: -29.419 where: short stacking energy: -29.419 Base-Backbone interact. energy: -0.214 local terms energy: -52.765569 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -114.734317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.734317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.734317 (E_RNA) where: Base-Base interactions energy: -62.858 where: short stacking energy: -40.264 Base-Backbone interact. energy: -0.133 local terms energy: -51.743601 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -7.349 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -7.390 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: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -76.917770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.917770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.917770 (E_RNA) where: Base-Base interactions energy: -36.397 where: short stacking energy: -35.936 Base-Backbone interact. energy: -0.531 local terms energy: -39.990005 where: bonds (distance) C4'-P energy: -10.487 bonds (distance) P-C4' energy: -8.555 flat angles C4'-P-C4' energy: -9.750 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -77.492211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.492211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.492211 (E_RNA) where: Base-Base interactions energy: -36.701 where: short stacking energy: -30.260 Base-Backbone interact. energy: 0.670 local terms energy: -41.461196 where: bonds (distance) C4'-P energy: -13.882 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -164.438929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.438929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.438929 (E_RNA) where: Base-Base interactions energy: -99.585 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.021 local terms energy: -64.833143 where: bonds (distance) C4'-P energy: -15.410 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -8.323 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: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -146.646816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.646816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.646816 (E_RNA) where: Base-Base interactions energy: -97.428 where: short stacking energy: -55.850 Base-Backbone interact. energy: -0.336 local terms energy: -48.882823 where: bonds (distance) C4'-P energy: -7.217 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -10.318 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -128.885580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.885580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.885580 (E_RNA) where: Base-Base interactions energy: -69.321 where: short stacking energy: -46.927 Base-Backbone interact. energy: -1.167 local terms energy: -58.398295 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -9.158 tors. eta vs tors. theta energy: -9.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -123.221405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.221405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.221405 (E_RNA) where: Base-Base interactions energy: -72.072 where: short stacking energy: -41.554 Base-Backbone interact. energy: -0.343 local terms energy: -50.806046 where: bonds (distance) C4'-P energy: -9.913 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -6.379 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: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -139.431939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.431939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.431939 (E_RNA) where: Base-Base interactions energy: -86.835 where: short stacking energy: -48.904 Base-Backbone interact. energy: -0.027 local terms energy: -52.570017 where: bonds (distance) C4'-P energy: -8.417 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -10.161 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: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -103.078610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.078610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.078610 (E_RNA) where: Base-Base interactions energy: -51.104 where: short stacking energy: -37.008 Base-Backbone interact. energy: -0.038 local terms energy: -51.936779 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -6.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -131.582700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.582700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.582700 (E_RNA) where: Base-Base interactions energy: -75.412 where: short stacking energy: -43.994 Base-Backbone interact. energy: -0.013 local terms energy: -56.157518 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -9.702 flat angles P-C4'-P energy: -6.307 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: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -75.159238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.159238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.159238 (E_RNA) where: Base-Base interactions energy: -36.341 where: short stacking energy: -28.627 Base-Backbone interact. energy: -0.477 local terms energy: -38.340935 where: bonds (distance) C4'-P energy: -8.803 bonds (distance) P-C4' energy: -11.397 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -1.675 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: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -84.333266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.333266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.333266 (E_RNA) where: Base-Base interactions energy: -35.677 where: short stacking energy: -35.677 Base-Backbone interact. energy: 0.319 local terms energy: -48.975247 where: bonds (distance) C4'-P energy: -10.828 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -9.358 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -8.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -79.623713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.623713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.623713 (E_RNA) where: Base-Base interactions energy: -38.545 where: short stacking energy: -38.545 Base-Backbone interact. energy: -0.025 local terms energy: -41.054034 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -5.754 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -155.971033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.971033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.971033 (E_RNA) where: Base-Base interactions energy: -94.742 where: short stacking energy: -58.781 Base-Backbone interact. energy: -0.093 local terms energy: -61.135981 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -12.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -144.992903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.992903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.992903 (E_RNA) where: Base-Base interactions energy: -86.908 where: short stacking energy: -51.110 Base-Backbone interact. energy: -0.071 local terms energy: -58.013945 where: bonds (distance) C4'-P energy: -15.171 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -9.841 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -13.255 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: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -108.009553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.009553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.009553 (E_RNA) where: Base-Base interactions energy: -53.579 where: short stacking energy: -51.888 Base-Backbone interact. energy: -0.005 local terms energy: -54.424971 where: bonds (distance) C4'-P energy: -10.803 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -8.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -147.633184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.633184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.633184 (E_RNA) where: Base-Base interactions energy: -90.192 where: short stacking energy: -55.755 Base-Backbone interact. energy: 0.094 local terms energy: -57.536037 where: bonds (distance) C4'-P energy: -9.826 bonds (distance) P-C4' energy: -12.248 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -9.829 tors. eta vs tors. theta energy: -11.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -134.821659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.821659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.821659 (E_RNA) where: Base-Base interactions energy: -81.216 where: short stacking energy: -55.751 Base-Backbone interact. energy: -0.167 local terms energy: -53.438438 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -4.519 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: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -132.319763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.319763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.319763 (E_RNA) where: Base-Base interactions energy: -81.389 where: short stacking energy: -52.330 Base-Backbone interact. energy: -0.039 local terms energy: -50.891620 where: bonds (distance) C4'-P energy: -9.715 bonds (distance) P-C4' energy: -13.952 flat angles C4'-P-C4' energy: -11.782 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -88.387515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.387515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.387515 (E_RNA) where: Base-Base interactions energy: -40.159 where: short stacking energy: -37.716 Base-Backbone interact. energy: -0.205 local terms energy: -48.023057 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -84.267717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.267717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.267717 (E_RNA) where: Base-Base interactions energy: -40.654 where: short stacking energy: -35.877 Base-Backbone interact. energy: -0.347 local terms energy: -43.266881 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -8.762 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -85.014046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.014046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.014046 (E_RNA) where: Base-Base interactions energy: -42.027 where: short stacking energy: -41.082 Base-Backbone interact. energy: -0.129 local terms energy: -42.857762 where: bonds (distance) C4'-P energy: -8.974 bonds (distance) P-C4' energy: -10.001 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -6.790 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: 4 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -81.904315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.904315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.904315 (E_RNA) where: Base-Base interactions energy: -40.857 where: short stacking energy: -29.188 Base-Backbone interact. energy: -0.097 local terms energy: -40.950175 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -151.988697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.988697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.988697 (E_RNA) where: Base-Base interactions energy: -93.268 where: short stacking energy: -57.243 Base-Backbone interact. energy: -0.391 local terms energy: -58.329368 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -10.293 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -15.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -164.175747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.175747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.175747 (E_RNA) where: Base-Base interactions energy: -101.769 where: short stacking energy: -66.181 Base-Backbone interact. energy: -0.002 local terms energy: -62.404440 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -12.568 flat angles P-C4'-P energy: -10.309 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: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -148.918826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.918826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.918826 (E_RNA) where: Base-Base interactions energy: -89.294 where: short stacking energy: -58.831 Base-Backbone interact. energy: -0.005 local terms energy: -59.619552 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -5.837 tors. eta vs tors. theta energy: -9.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -95.862528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.862528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.862528 (E_RNA) where: Base-Base interactions energy: -50.239 where: short stacking energy: -38.786 Base-Backbone interact. energy: 0.569 local terms energy: -46.192511 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -11.128 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -127.818499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.818499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.818499 (E_RNA) where: Base-Base interactions energy: -75.369 where: short stacking energy: -39.248 Base-Backbone interact. energy: 0.316 local terms energy: -52.766030 where: bonds (distance) C4'-P energy: -9.055 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -16.118 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -3.423 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: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -102.220359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.220359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.220359 (E_RNA) where: Base-Base interactions energy: -51.531 where: short stacking energy: -47.630 Base-Backbone interact. energy: -0.087 local terms energy: -50.601937 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -92.083103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.083103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.083103 (E_RNA) where: Base-Base interactions energy: -47.950 where: short stacking energy: -40.802 Base-Backbone interact. energy: -0.885 local terms energy: -43.248734 where: bonds (distance) C4'-P energy: -10.417 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -104.027157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.027157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.027157 (E_RNA) where: Base-Base interactions energy: -63.842 where: short stacking energy: -32.521 Base-Backbone interact. energy: -0.131 local terms energy: -40.054013 where: bonds (distance) C4'-P energy: -5.173 bonds (distance) P-C4' energy: -13.185 flat angles C4'-P-C4' energy: -12.217 flat angles P-C4'-P energy: -6.690 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: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -85.870297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.870297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.870297 (E_RNA) where: Base-Base interactions energy: -34.900 where: short stacking energy: -30.091 Base-Backbone interact. energy: -0.886 local terms energy: -50.084270 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -6.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -65.676989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.676989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.676989 (E_RNA) where: Base-Base interactions energy: -16.164 where: short stacking energy: -17.177 Base-Backbone interact. energy: -0.152 local terms energy: -49.361222 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -5.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -158.955781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.955781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.955781 (E_RNA) where: Base-Base interactions energy: -96.431 where: short stacking energy: -55.780 Base-Backbone interact. energy: -0.075 local terms energy: -62.449407 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -8.232 tors. eta vs tors. theta energy: -14.383 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: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -145.456707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.456707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.456707 (E_RNA) where: Base-Base interactions energy: -82.205 where: short stacking energy: -55.591 Base-Backbone interact. energy: -0.020 local terms energy: -63.231575 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -13.466 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -13.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -156.723240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.723240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.723240 (E_RNA) where: Base-Base interactions energy: -92.594 where: short stacking energy: -58.352 Base-Backbone interact. energy: -0.589 local terms energy: -63.540516 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -125.875140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.875140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.875140 (E_RNA) where: Base-Base interactions energy: -73.881 where: short stacking energy: -35.770 Base-Backbone interact. energy: -1.409 local terms energy: -50.584956 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -99.557669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.557669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.557669 (E_RNA) where: Base-Base interactions energy: -44.490 where: short stacking energy: -43.548 Base-Backbone interact. energy: -0.093 local terms energy: -54.974562 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -11.586 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -97.480878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.480878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.480878 (E_RNA) where: Base-Base interactions energy: -41.187 where: short stacking energy: -41.187 Base-Backbone interact. energy: -0.043 local terms energy: -56.250347 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -12.256 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: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -115.645836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.645836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.645836 (E_RNA) where: Base-Base interactions energy: -70.577 where: short stacking energy: -42.054 Base-Backbone interact. energy: -0.148 local terms energy: -44.921269 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -7.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -113.693810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.693810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.693810 (E_RNA) where: Base-Base interactions energy: -62.773 where: short stacking energy: -35.622 Base-Backbone interact. energy: -0.016 local terms energy: -50.904259 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -7.585 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -12.236 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -79.555511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.555511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.555511 (E_RNA) where: Base-Base interactions energy: -35.551 where: short stacking energy: -35.551 Base-Backbone interact. energy: -0.137 local terms energy: -43.867785 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -73.526164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.526164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.526164 (E_RNA) where: Base-Base interactions energy: -27.676 where: short stacking energy: -24.495 Base-Backbone interact. energy: -0.004 local terms energy: -45.845747 where: bonds (distance) C4'-P energy: -8.215 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -9.614 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -6.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -161.644886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.644886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.644886 (E_RNA) where: Base-Base interactions energy: -102.587 where: short stacking energy: -62.853 Base-Backbone interact. energy: -0.307 local terms energy: -58.751161 where: bonds (distance) C4'-P energy: -8.491 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -13.790 flat angles P-C4'-P energy: -10.157 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: 2, replica: 6 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -140.549816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.549816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.549816 (E_RNA) where: Base-Base interactions energy: -84.015 where: short stacking energy: -54.745 Base-Backbone interact. energy: -0.005 local terms energy: -56.529388 where: bonds (distance) C4'-P energy: -14.955 bonds (distance) P-C4' energy: -10.440 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -149.255200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.255200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.255200 (E_RNA) where: Base-Base interactions energy: -88.632 where: short stacking energy: -63.690 Base-Backbone interact. energy: -0.007 local terms energy: -60.616126 where: bonds (distance) C4'-P energy: -10.721 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -12.275 flat angles P-C4'-P energy: -10.260 tors. eta vs tors. theta energy: -13.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -136.288606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.288606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.288606 (E_RNA) where: Base-Base interactions energy: -83.099 where: short stacking energy: -51.242 Base-Backbone interact. energy: -0.033 local terms energy: -53.156569 where: bonds (distance) C4'-P energy: -8.418 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -8.835 tors. eta vs tors. theta energy: -10.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -86.833410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.833410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.833410 (E_RNA) where: Base-Base interactions energy: -33.999 where: short stacking energy: -33.999 Base-Backbone interact. energy: -0.170 local terms energy: -52.664010 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -3.964 tors. eta vs tors. theta energy: -7.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -122.862055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.862055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.862055 (E_RNA) where: Base-Base interactions energy: -82.154 where: short stacking energy: -50.265 Base-Backbone interact. energy: -0.224 local terms energy: -40.484020 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -8.725 flat angles C4'-P-C4' energy: -10.607 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -8.862 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: 2 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -131.289145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.289145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.289145 (E_RNA) where: Base-Base interactions energy: -78.490 where: short stacking energy: -47.682 Base-Backbone interact. energy: -0.217 local terms energy: -52.582057 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -9.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -123.968335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.968335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.968335 (E_RNA) where: Base-Base interactions energy: -75.316 where: short stacking energy: -46.392 Base-Backbone interact. energy: -0.004 local terms energy: -48.648778 where: bonds (distance) C4'-P energy: -7.131 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -10.000 flat angles P-C4'-P energy: -7.473 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: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -79.067629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.067629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.067629 (E_RNA) where: Base-Base interactions energy: -38.141 where: short stacking energy: -33.438 Base-Backbone interact. energy: -0.070 local terms energy: -40.856327 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -4.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -72.480232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.480232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.480232 (E_RNA) where: Base-Base interactions energy: -28.846 where: short stacking energy: -28.726 Base-Backbone interact. energy: -0.021 local terms energy: -43.613385 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -169.236589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.236589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.236589 (E_RNA) where: Base-Base interactions energy: -106.579 where: short stacking energy: -59.291 Base-Backbone interact. energy: -0.001 local terms energy: -62.656660 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -14.349 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: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -130.449343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.449343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.449343 (E_RNA) where: Base-Base interactions energy: -78.580 where: short stacking energy: -53.534 Base-Backbone interact. energy: 0.865 local terms energy: -52.734280 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -7.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -146.022793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.022793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.022793 (E_RNA) where: Base-Base interactions energy: -89.660 where: short stacking energy: -57.810 Base-Backbone interact. energy: -0.008 local terms energy: -56.354458 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -11.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -136.324742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.324742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.324742 (E_RNA) where: Base-Base interactions energy: -84.426 where: short stacking energy: -51.758 Base-Backbone interact. energy: -0.007 local terms energy: -51.891822 where: bonds (distance) C4'-P energy: -10.546 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -98.847278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.847278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.847278 (E_RNA) where: Base-Base interactions energy: -47.346 where: short stacking energy: -47.346 Base-Backbone interact. energy: -0.000 local terms energy: -51.500825 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -11.574 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -13.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -131.978518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.978518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.978518 (E_RNA) where: Base-Base interactions energy: -80.362 where: short stacking energy: -53.502 Base-Backbone interact. energy: -0.011 local terms energy: -51.605432 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -10.078 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -7.833 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -124.449054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.449054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.449054 (E_RNA) where: Base-Base interactions energy: -80.862 where: short stacking energy: -42.840 Base-Backbone interact. energy: -0.010 local terms energy: -43.577218 where: bonds (distance) C4'-P energy: -5.761 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -8.124 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: 8, replica: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -122.988915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.988915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.988915 (E_RNA) where: Base-Base interactions energy: -68.890 where: short stacking energy: -40.952 Base-Backbone interact. energy: -0.018 local terms energy: -54.081030 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -11.521 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -67.448220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.448220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.448220 (E_RNA) where: Base-Base interactions energy: -23.124 where: short stacking energy: -20.535 Base-Backbone interact. energy: -0.313 local terms energy: -44.011538 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: 0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -78.306570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.306570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.306570 (E_RNA) where: Base-Base interactions energy: -28.218 where: short stacking energy: -28.218 Base-Backbone interact. energy: 0.193 local terms energy: -50.281564 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -10.983 flat angles C4'-P-C4' energy: -14.023 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -9.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -163.910703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.910703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.910703 (E_RNA) where: Base-Base interactions energy: -102.605 where: short stacking energy: -59.234 Base-Backbone interact. energy: 0.620 local terms energy: -61.926056 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -148.060548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.060548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.060548 (E_RNA) where: Base-Base interactions energy: -88.695 where: short stacking energy: -49.856 Base-Backbone interact. energy: -0.422 local terms energy: -58.943874 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -10.770 tors. eta vs tors. theta energy: -9.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -144.524543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.524543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.524543 (E_RNA) where: Base-Base interactions energy: -86.619 where: short stacking energy: -54.887 Base-Backbone interact. energy: -0.022 local terms energy: -57.883125 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -10.881 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -10.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -131.753641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.753641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.753641 (E_RNA) where: Base-Base interactions energy: -74.904 where: short stacking energy: -47.127 Base-Backbone interact. energy: -0.512 local terms energy: -56.337232 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -11.508 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: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -119.890568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.890568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.890568 (E_RNA) where: Base-Base interactions energy: -67.945 where: short stacking energy: -43.053 Base-Backbone interact. energy: -0.507 local terms energy: -51.438939 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -89.848109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.848109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.848109 (E_RNA) where: Base-Base interactions energy: -39.083 where: short stacking energy: -39.083 Base-Backbone interact. energy: -0.701 local terms energy: -50.064620 where: bonds (distance) C4'-P energy: -10.322 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -134.685572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.685572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.685572 (E_RNA) where: Base-Base interactions energy: -87.987 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.074 local terms energy: -46.624376 where: bonds (distance) C4'-P energy: -7.412 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -3.379 tors. eta vs tors. theta energy: -11.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -127.846968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.846968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.846968 (E_RNA) where: Base-Base interactions energy: -75.938 where: short stacking energy: -48.969 Base-Backbone interact. energy: -0.124 local terms energy: -51.784886 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -10.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -78.813227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.813227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.813227 (E_RNA) where: Base-Base interactions energy: -32.448 where: short stacking energy: -32.246 Base-Backbone interact. energy: -0.640 local terms energy: -45.725021 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -9.790 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -79.034724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.034724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.034724 (E_RNA) where: Base-Base interactions energy: -26.526 where: short stacking energy: -26.526 Base-Backbone interact. energy: -0.091 local terms energy: -52.417978 where: bonds (distance) C4'-P energy: -8.548 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -15.545 flat angles P-C4'-P energy: -11.636 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -160.463039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.463039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.463039 (E_RNA) where: Base-Base interactions energy: -101.375 where: short stacking energy: -61.475 Base-Backbone interact. energy: -0.084 local terms energy: -59.004310 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -8.922 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -14.450 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: 6 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -150.582226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.582226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.582226 (E_RNA) where: Base-Base interactions energy: -94.345 where: short stacking energy: -54.328 Base-Backbone interact. energy: -0.077 local terms energy: -56.160323 where: bonds (distance) C4'-P energy: -7.739 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -13.087 flat angles P-C4'-P energy: -7.811 tors. eta vs tors. theta energy: -12.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -124.362957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.362957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.362957 (E_RNA) where: Base-Base interactions energy: -68.538 where: short stacking energy: -32.797 Base-Backbone interact. energy: -0.439 local terms energy: -55.386556 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -11.593 tors. eta vs tors. theta energy: -7.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -130.883188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.883188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.883188 (E_RNA) where: Base-Base interactions energy: -77.972 where: short stacking energy: -50.366 Base-Backbone interact. energy: -0.011 local terms energy: -52.900220 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -9.143 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -11.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -132.125971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.125971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.125971 (E_RNA) where: Base-Base interactions energy: -79.675 where: short stacking energy: -50.883 Base-Backbone interact. energy: 0.456 local terms energy: -52.906863 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -12.370 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -7.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -124.640473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.640473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.640473 (E_RNA) where: Base-Base interactions energy: -67.216 where: short stacking energy: -42.067 Base-Backbone interact. energy: -0.538 local terms energy: -56.886524 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -10.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -90.902220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.902220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.902220 (E_RNA) where: Base-Base interactions energy: -44.884 where: short stacking energy: -41.789 Base-Backbone interact. energy: -0.302 local terms energy: -45.715555 where: bonds (distance) C4'-P energy: -5.823 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -113.190647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.190647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.190647 (E_RNA) where: Base-Base interactions energy: -62.650 where: short stacking energy: -34.548 Base-Backbone interact. energy: -0.003 local terms energy: -50.537713 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -5.069 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: 9, replica: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -78.561720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.561720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.561720 (E_RNA) where: Base-Base interactions energy: -32.871 where: short stacking energy: -31.900 Base-Backbone interact. energy: -0.049 local terms energy: -45.642491 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -80.078362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.078362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.078362 (E_RNA) where: Base-Base interactions energy: -37.757 where: short stacking energy: -37.757 Base-Backbone interact. energy: -0.058 local terms energy: -42.263576 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -8.954 flat angles C4'-P-C4' energy: -10.869 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -168.400628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.400628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.400628 (E_RNA) where: Base-Base interactions energy: -100.814 where: short stacking energy: -68.082 Base-Backbone interact. energy: -0.023 local terms energy: -67.564314 where: bonds (distance) C4'-P energy: -13.739 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -8.591 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: 2, replica: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -151.313590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.313590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.313590 (E_RNA) where: Base-Base interactions energy: -87.260 where: short stacking energy: -59.096 Base-Backbone interact. energy: 0.305 local terms energy: -64.358118 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -11.217 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: 3, replica: 2 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -144.424282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.424282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.424282 (E_RNA) where: Base-Base interactions energy: -88.219 where: short stacking energy: -57.164 Base-Backbone interact. energy: -0.678 local terms energy: -55.527232 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -15.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -128.537222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.537222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.537222 (E_RNA) where: Base-Base interactions energy: -73.145 where: short stacking energy: -38.147 Base-Backbone interact. energy: -0.168 local terms energy: -55.223893 where: bonds (distance) C4'-P energy: -13.175 bonds (distance) P-C4' energy: -11.571 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -136.971413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.971413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.971413 (E_RNA) where: Base-Base interactions energy: -84.587 where: short stacking energy: -48.942 Base-Backbone interact. energy: -0.008 local terms energy: -52.376004 where: bonds (distance) C4'-P energy: -7.926 bonds (distance) P-C4' energy: -10.299 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -12.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -111.978743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.978743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.978743 (E_RNA) where: Base-Base interactions energy: -65.594 where: short stacking energy: -33.855 Base-Backbone interact. energy: 0.065 local terms energy: -46.450538 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -87.467920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.467920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.467920 (E_RNA) where: Base-Base interactions energy: -40.096 where: short stacking energy: -31.377 Base-Backbone interact. energy: -0.157 local terms energy: -47.215501 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -11.431 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -87.581635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.581635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.581635 (E_RNA) where: Base-Base interactions energy: -34.296 where: short stacking energy: -34.296 Base-Backbone interact. energy: 2.260 local terms energy: -55.545520 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -12.282 flat angles P-C4'-P energy: -11.244 tors. eta vs tors. theta energy: -4.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -75.823583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.823583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.823583 (E_RNA) where: Base-Base interactions energy: -28.283 where: short stacking energy: -28.283 Base-Backbone interact. energy: -0.158 local terms energy: -47.382651 where: bonds (distance) C4'-P energy: -10.188 bonds (distance) P-C4' energy: -11.202 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -76.200749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.200749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.200749 (E_RNA) where: Base-Base interactions energy: -30.046 where: short stacking energy: -28.858 Base-Backbone interact. energy: -0.109 local terms energy: -46.045415 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -11.105 flat angles C4'-P-C4' energy: -10.979 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -165.968420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.968420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.968420 (E_RNA) where: Base-Base interactions energy: -95.659 where: short stacking energy: -57.984 Base-Backbone interact. energy: -0.002 local terms energy: -70.307514 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -14.653 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: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -146.855750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.855750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.855750 (E_RNA) where: Base-Base interactions energy: -82.400 where: short stacking energy: -53.660 Base-Backbone interact. energy: -1.741 local terms energy: -62.714702 where: bonds (distance) C4'-P energy: -14.905 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -10.965 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -14.632 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: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -147.965771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.965771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.965771 (E_RNA) where: Base-Base interactions energy: -87.007 where: short stacking energy: -58.945 Base-Backbone interact. energy: -0.144 local terms energy: -60.814526 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -8.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -156.056613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.056613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.056613 (E_RNA) where: Base-Base interactions energy: -94.276 where: short stacking energy: -56.809 Base-Backbone interact. energy: -0.001 local terms energy: -61.778913 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -9.834 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -119.240590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.240590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.240590 (E_RNA) where: Base-Base interactions energy: -68.509 where: short stacking energy: -42.830 Base-Backbone interact. energy: -0.251 local terms energy: -50.480773 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -88.045115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.045115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.045115 (E_RNA) where: Base-Base interactions energy: -40.213 where: short stacking energy: -40.213 Base-Backbone interact. energy: 0.024 local terms energy: -47.855199 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -8.212 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -6.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -120.969884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.969884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.969884 (E_RNA) where: Base-Base interactions energy: -71.063 where: short stacking energy: -37.535 Base-Backbone interact. energy: 0.043 local terms energy: -49.949835 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -5.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -86.831223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.831223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.831223 (E_RNA) where: Base-Base interactions energy: -38.518 where: short stacking energy: -32.691 Base-Backbone interact. energy: -0.441 local terms energy: -47.872228 where: bonds (distance) C4'-P energy: -7.548 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -74.689002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.689002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.689002 (E_RNA) where: Base-Base interactions energy: -29.427 where: short stacking energy: -26.255 Base-Backbone interact. energy: 0.011 local terms energy: -45.273493 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -9.053 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -7.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -84.326732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.326732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.326732 (E_RNA) where: Base-Base interactions energy: -39.834 where: short stacking energy: -39.834 Base-Backbone interact. energy: -0.002 local terms energy: -44.491180 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -6.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -166.671810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.671810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.671810 (E_RNA) where: Base-Base interactions energy: -105.045 where: short stacking energy: -53.866 Base-Backbone interact. energy: -0.012 local terms energy: -61.614541 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -11.660 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: 2 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -142.226247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.226247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.226247 (E_RNA) where: Base-Base interactions energy: -82.511 where: short stacking energy: -50.434 Base-Backbone interact. energy: -0.061 local terms energy: -59.653924 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -9.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -160.216303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.216303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.216303 (E_RNA) where: Base-Base interactions energy: -92.729 where: short stacking energy: -57.346 Base-Backbone interact. energy: -0.002 local terms energy: -67.486131 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -11.526 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -18.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -137.956157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.956157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.956157 (E_RNA) where: Base-Base interactions energy: -80.681 where: short stacking energy: -49.548 Base-Backbone interact. energy: -0.082 local terms energy: -57.193153 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -10.263 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: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -132.784985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.784985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.784985 (E_RNA) where: Base-Base interactions energy: -78.684 where: short stacking energy: -48.420 Base-Backbone interact. energy: -0.142 local terms energy: -53.959034 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -11.665 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -6.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -95.547172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.547172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.547172 (E_RNA) where: Base-Base interactions energy: -40.628 where: short stacking energy: -40.628 Base-Backbone interact. energy: -0.160 local terms energy: -54.759153 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -8.401 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -8.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -93.667939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.667939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.667939 (E_RNA) where: Base-Base interactions energy: -41.483 where: short stacking energy: -40.207 Base-Backbone interact. energy: -0.078 local terms energy: -52.107583 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -9.097 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -78.401049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.401049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.401049 (E_RNA) where: Base-Base interactions energy: -30.222 where: short stacking energy: -30.222 Base-Backbone interact. energy: -0.093 local terms energy: -48.085139 where: bonds (distance) C4'-P energy: -8.604 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -85.262230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.262230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.262230 (E_RNA) where: Base-Base interactions energy: -32.341 where: short stacking energy: -32.264 Base-Backbone interact. energy: -0.120 local terms energy: -52.800942 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -75.639429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.639429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.639429 (E_RNA) where: Base-Base interactions energy: -26.852 where: short stacking energy: -26.852 Base-Backbone interact. energy: -0.232 local terms energy: -48.555428 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -9.130 flat angles P-C4'-P energy: -8.832 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: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -159.501851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.501851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.501851 (E_RNA) where: Base-Base interactions energy: -94.778 where: short stacking energy: -57.443 Base-Backbone interact. energy: -0.004 local terms energy: -64.719713 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -15.810 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: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -167.201817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.201817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.201817 (E_RNA) where: Base-Base interactions energy: -102.900 where: short stacking energy: -70.680 Base-Backbone interact. energy: -0.031 local terms energy: -64.270774 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -10.728 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: 3, replica: 2 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -145.923768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.923768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.923768 (E_RNA) where: Base-Base interactions energy: -90.372 where: short stacking energy: -59.160 Base-Backbone interact. energy: -0.028 local terms energy: -55.523498 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -7.438 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: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -135.415510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.415510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.415510 (E_RNA) where: Base-Base interactions energy: -81.873 where: short stacking energy: -49.968 Base-Backbone interact. energy: 0.570 local terms energy: -54.112146 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -11.615 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -8.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -121.483411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.483411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.483411 (E_RNA) where: Base-Base interactions energy: -67.417 where: short stacking energy: -37.959 Base-Backbone interact. energy: -0.070 local terms energy: -53.995958 where: bonds (distance) C4'-P energy: -15.489 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -5.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -92.062226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.062226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.062226 (E_RNA) where: Base-Base interactions energy: -41.077 where: short stacking energy: -41.077 Base-Backbone interact. energy: -0.018 local terms energy: -50.966510 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -6.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -88.208896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.208896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.208896 (E_RNA) where: Base-Base interactions energy: -37.026 where: short stacking energy: -37.026 Base-Backbone interact. energy: -0.036 local terms energy: -51.146871 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -7.760 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: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -78.661953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.661953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.661953 (E_RNA) where: Base-Base interactions energy: -37.339 where: short stacking energy: -36.684 Base-Backbone interact. energy: -0.197 local terms energy: -41.126441 where: bonds (distance) C4'-P energy: -8.655 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -0.930 tors. eta vs tors. theta energy: -5.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -90.017485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.017485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.017485 (E_RNA) where: Base-Base interactions energy: -42.570 where: short stacking energy: -41.871 Base-Backbone interact. energy: -0.034 local terms energy: -47.413389 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -11.174 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -73.106147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.106147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.106147 (E_RNA) where: Base-Base interactions energy: -29.314 where: short stacking energy: -29.314 Base-Backbone interact. energy: -0.183 local terms energy: -43.608991 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -10.377 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -168.605121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.605121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.605121 (E_RNA) where: Base-Base interactions energy: -97.771 where: short stacking energy: -67.613 Base-Backbone interact. energy: -0.097 local terms energy: -70.737517 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -15.418 flat angles P-C4'-P energy: -11.431 tors. eta vs tors. theta energy: -16.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -139.733725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.733725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.733725 (E_RNA) where: Base-Base interactions energy: -78.112 where: short stacking energy: -55.044 Base-Backbone interact. energy: -0.012 local terms energy: -61.609973 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -9.983 tors. eta vs tors. theta energy: -10.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -142.865645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.865645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.865645 (E_RNA) where: Base-Base interactions energy: -85.505 where: short stacking energy: -54.692 Base-Backbone interact. energy: 0.236 local terms energy: -57.596574 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -11.498 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -9.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -138.131336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.131336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.131336 (E_RNA) where: Base-Base interactions energy: -82.773 where: short stacking energy: -54.686 Base-Backbone interact. energy: -0.080 local terms energy: -55.278075 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -12.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -131.943930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.943930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.943930 (E_RNA) where: Base-Base interactions energy: -79.721 where: short stacking energy: -50.579 Base-Backbone interact. energy: -0.005 local terms energy: -52.218123 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -9.092 tors. eta vs tors. theta energy: -8.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -97.255406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.255406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.255406 (E_RNA) where: Base-Base interactions energy: -46.593 where: short stacking energy: -46.593 Base-Backbone interact. energy: -0.034 local terms energy: -50.628225 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -12.063 flat angles C4'-P-C4' energy: -9.352 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -85.984335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.984335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.984335 (E_RNA) where: Base-Base interactions energy: -36.717 where: short stacking energy: -35.067 Base-Backbone interact. energy: -0.018 local terms energy: -49.249906 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -8.375 flat angles C4'-P-C4' energy: -15.604 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -93.172354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.172354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.172354 (E_RNA) where: Base-Base interactions energy: -41.019 where: short stacking energy: -41.019 Base-Backbone interact. energy: 0.328 local terms energy: -52.481466 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -10.084 flat angles C4'-P-C4' energy: -11.294 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -8.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -81.607839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.607839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.607839 (E_RNA) where: Base-Base interactions energy: -42.265 where: short stacking energy: -41.697 Base-Backbone interact. energy: -0.087 local terms energy: -39.256022 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -8.977 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -4.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -83.293953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.293953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.293953 (E_RNA) where: Base-Base interactions energy: -35.802 where: short stacking energy: -35.802 Base-Backbone interact. energy: -0.076 local terms energy: -47.415551 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -7.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -174.375323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.375323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.375323 (E_RNA) where: Base-Base interactions energy: -103.451 where: short stacking energy: -65.817 Base-Backbone interact. energy: -0.719 local terms energy: -70.205629 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -10.693 tors. eta vs tors. theta energy: -16.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -139.657488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.657488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.657488 (E_RNA) where: Base-Base interactions energy: -81.078 where: short stacking energy: -54.968 Base-Backbone interact. energy: -0.072 local terms energy: -58.507895 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -8.123 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: 251 Temperature: 1.000000 Total energy: -152.357349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.357349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.357349 (E_RNA) where: Base-Base interactions energy: -94.184 where: short stacking energy: -61.653 Base-Backbone interact. energy: -0.014 local terms energy: -58.159606 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -12.513 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -11.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -140.040020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.040020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.040020 (E_RNA) where: Base-Base interactions energy: -82.390 where: short stacking energy: -48.148 Base-Backbone interact. energy: -0.028 local terms energy: -57.621906 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -12.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -136.077839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.077839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.077839 (E_RNA) where: Base-Base interactions energy: -82.093 where: short stacking energy: -53.744 Base-Backbone interact. energy: -0.007 local terms energy: -53.977939 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -10.654 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -13.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -94.722884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.722884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.722884 (E_RNA) where: Base-Base interactions energy: -44.110 where: short stacking energy: -44.110 Base-Backbone interact. energy: -0.051 local terms energy: -50.561886 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -9.917 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -84.892964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.892964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.892964 (E_RNA) where: Base-Base interactions energy: -31.683 where: short stacking energy: -31.883 Base-Backbone interact. energy: -0.022 local terms energy: -53.188082 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -87.365181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.365181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.365181 (E_RNA) where: Base-Base interactions energy: -40.185 where: short stacking energy: -34.624 Base-Backbone interact. energy: -0.404 local terms energy: -46.776287 where: bonds (distance) C4'-P energy: -9.077 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -75.405804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.405804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.405804 (E_RNA) where: Base-Base interactions energy: -35.758 where: short stacking energy: -28.809 Base-Backbone interact. energy: 0.492 local terms energy: -40.139217 where: bonds (distance) C4'-P energy: -2.688 bonds (distance) P-C4' energy: -12.292 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -7.408 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: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -71.896566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.896566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.896566 (E_RNA) where: Base-Base interactions energy: -24.818 where: short stacking energy: -24.418 Base-Backbone interact. energy: -0.216 local terms energy: -46.862586 where: bonds (distance) C4'-P energy: -7.740 bonds (distance) P-C4' energy: -12.739 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -168.932012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.932012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.932012 (E_RNA) where: Base-Base interactions energy: -103.962 where: short stacking energy: -67.360 Base-Backbone interact. energy: -0.188 local terms energy: -64.781201 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -13.152 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -15.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -144.901902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.901902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.901902 (E_RNA) where: Base-Base interactions energy: -82.159 where: short stacking energy: -52.593 Base-Backbone interact. energy: -0.001 local terms energy: -62.742724 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -10.071 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -132.327891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.327891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.327891 (E_RNA) where: Base-Base interactions energy: -76.781 where: short stacking energy: -48.512 Base-Backbone interact. energy: 0.303 local terms energy: -55.849354 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -9.481 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: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -132.257021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.257021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.257021 (E_RNA) where: Base-Base interactions energy: -71.318 where: short stacking energy: -45.819 Base-Backbone interact. energy: 0.117 local terms energy: -61.055994 where: bonds (distance) C4'-P energy: -12.115 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -15.349 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -11.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -132.366197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.366197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.366197 (E_RNA) where: Base-Base interactions energy: -77.438 where: short stacking energy: -46.686 Base-Backbone interact. energy: -0.036 local terms energy: -54.891664 where: bonds (distance) C4'-P energy: -13.663 bonds (distance) P-C4' energy: -11.118 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -9.454 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: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -93.981453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.981453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.981453 (E_RNA) where: Base-Base interactions energy: -37.586 where: short stacking energy: -32.037 Base-Backbone interact. energy: -0.279 local terms energy: -56.116380 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -91.339918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.339918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.339918 (E_RNA) where: Base-Base interactions energy: -42.857 where: short stacking energy: -42.857 Base-Backbone interact. energy: -0.065 local terms energy: -48.417594 where: bonds (distance) C4'-P energy: -9.595 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -9.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -83.060694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.060694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.060694 (E_RNA) where: Base-Base interactions energy: -38.513 where: short stacking energy: -34.515 Base-Backbone interact. energy: -0.220 local terms energy: -44.327079 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -10.855 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -81.617786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.617786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.617786 (E_RNA) where: Base-Base interactions energy: -33.831 where: short stacking energy: -33.807 Base-Backbone interact. energy: -0.149 local terms energy: -47.637376 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -14.577 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -0.491 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: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -80.951275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.951275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.951275 (E_RNA) where: Base-Base interactions energy: -33.345 where: short stacking energy: -33.173 Base-Backbone interact. energy: -0.168 local terms energy: -47.438435 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -10.331 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: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -164.890088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.890088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.890088 (E_RNA) where: Base-Base interactions energy: -107.476 where: short stacking energy: -68.970 Base-Backbone interact. energy: -0.608 local terms energy: -56.806196 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -10.355 flat angles P-C4'-P energy: -6.292 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: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -151.499240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.499240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.499240 (E_RNA) where: Base-Base interactions energy: -88.426 where: short stacking energy: -52.008 Base-Backbone interact. energy: -0.001 local terms energy: -63.072790 where: bonds (distance) C4'-P energy: -14.889 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -11.110 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -13.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -145.826138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.826138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.826138 (E_RNA) where: Base-Base interactions energy: -86.614 where: short stacking energy: -54.037 Base-Backbone interact. energy: -0.011 local terms energy: -59.200678 where: bonds (distance) C4'-P energy: -14.293 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -12.113 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: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -144.034224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.034224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.034224 (E_RNA) where: Base-Base interactions energy: -92.456 where: short stacking energy: -54.853 Base-Backbone interact. energy: -0.002 local terms energy: -51.575834 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -9.952 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -11.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -135.847565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.847565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.847565 (E_RNA) where: Base-Base interactions energy: -78.405 where: short stacking energy: -49.752 Base-Backbone interact. energy: -0.476 local terms energy: -56.966985 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -11.532 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: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -96.732201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.732201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.732201 (E_RNA) where: Base-Base interactions energy: -43.934 where: short stacking energy: -39.058 Base-Backbone interact. energy: -0.013 local terms energy: -52.784389 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -14.939 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -89.053856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.053856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.053856 (E_RNA) where: Base-Base interactions energy: -36.814 where: short stacking energy: -36.511 Base-Backbone interact. energy: -0.008 local terms energy: -52.231464 where: bonds (distance) C4'-P energy: -11.200 bonds (distance) P-C4' energy: -9.475 flat angles C4'-P-C4' energy: -12.621 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -9.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -79.651243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.651243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.651243 (E_RNA) where: Base-Base interactions energy: -37.017 where: short stacking energy: -30.970 Base-Backbone interact. energy: -0.113 local terms energy: -42.521362 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -80.162946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.162946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.162946 (E_RNA) where: Base-Base interactions energy: -34.167 where: short stacking energy: -27.197 Base-Backbone interact. energy: -0.013 local terms energy: -45.983255 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -6.340 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -79.128931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.128931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.128931 (E_RNA) where: Base-Base interactions energy: -28.758 where: short stacking energy: -28.730 Base-Backbone interact. energy: -0.370 local terms energy: -50.000597 where: bonds (distance) C4'-P energy: -6.630 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -14.915 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -4.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -152.764189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.764189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.764189 (E_RNA) where: Base-Base interactions energy: -95.565 where: short stacking energy: -61.288 Base-Backbone interact. energy: -0.000 local terms energy: -57.198506 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -11.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -151.097724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.097724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.097724 (E_RNA) where: Base-Base interactions energy: -94.201 where: short stacking energy: -57.471 Base-Backbone interact. energy: -0.542 local terms energy: -56.355066 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -147.574886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.574886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.574886 (E_RNA) where: Base-Base interactions energy: -88.160 where: short stacking energy: -55.125 Base-Backbone interact. energy: 0.116 local terms energy: -59.530663 where: bonds (distance) C4'-P energy: -10.173 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -131.730420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.730420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.730420 (E_RNA) where: Base-Base interactions energy: -73.549 where: short stacking energy: -48.972 Base-Backbone interact. energy: -0.013 local terms energy: -58.168776 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -10.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -105.258626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.258626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.258626 (E_RNA) where: Base-Base interactions energy: -52.435 where: short stacking energy: -46.026 Base-Backbone interact. energy: -0.026 local terms energy: -52.797687 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -7.052 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -9.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -126.054930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.054930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.054930 (E_RNA) where: Base-Base interactions energy: -72.756 where: short stacking energy: -45.212 Base-Backbone interact. energy: -0.044 local terms energy: -53.254896 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -10.853 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -7.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -86.782542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.782542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.782542 (E_RNA) where: Base-Base interactions energy: -42.097 where: short stacking energy: -39.614 Base-Backbone interact. energy: -0.490 local terms energy: -44.195508 where: bonds (distance) C4'-P energy: -6.424 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -80.022365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.022365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.022365 (E_RNA) where: Base-Base interactions energy: -28.217 where: short stacking energy: -28.217 Base-Backbone interact. energy: -0.184 local terms energy: -51.621919 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -84.607736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.607736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.607736 (E_RNA) where: Base-Base interactions energy: -35.284 where: short stacking energy: -30.448 Base-Backbone interact. energy: -0.096 local terms energy: -49.228151 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -77.747998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.747998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.747998 (E_RNA) where: Base-Base interactions energy: -28.982 where: short stacking energy: -24.521 Base-Backbone interact. energy: -0.465 local terms energy: -48.300365 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -153.825985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.825985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.825985 (E_RNA) where: Base-Base interactions energy: -92.750 where: short stacking energy: -63.583 Base-Backbone interact. energy: -0.002 local terms energy: -61.073718 where: bonds (distance) C4'-P energy: -12.020 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -13.262 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: 3 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -158.357235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.357235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.357235 (E_RNA) where: Base-Base interactions energy: -100.512 where: short stacking energy: -58.272 Base-Backbone interact. energy: 0.222 local terms energy: -58.067357 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -10.902 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -15.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -145.068383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.068383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.068383 (E_RNA) where: Base-Base interactions energy: -83.167 where: short stacking energy: -48.343 Base-Backbone interact. energy: -0.614 local terms energy: -61.286904 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -9.878 tors. eta vs tors. theta energy: -14.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -129.433183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.433183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.433183 (E_RNA) where: Base-Base interactions energy: -82.362 where: short stacking energy: -48.198 Base-Backbone interact. energy: -1.066 local terms energy: -46.005611 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -9.284 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -104.721845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.721845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.721845 (E_RNA) where: Base-Base interactions energy: -58.708 where: short stacking energy: -54.168 Base-Backbone interact. energy: 0.615 local terms energy: -46.629175 where: bonds (distance) C4'-P energy: -5.863 bonds (distance) P-C4' energy: -10.881 flat angles C4'-P-C4' energy: -10.667 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -10.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -125.250950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.250950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.250950 (E_RNA) where: Base-Base interactions energy: -72.089 where: short stacking energy: -44.963 Base-Backbone interact. energy: -0.153 local terms energy: -53.009203 where: bonds (distance) C4'-P energy: -8.521 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -8.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -92.640214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.640214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.640214 (E_RNA) where: Base-Base interactions energy: -34.432 where: short stacking energy: -34.432 Base-Backbone interact. energy: -0.104 local terms energy: -58.104337 where: bonds (distance) C4'-P energy: -14.458 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -12.643 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -7.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -84.386906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.386906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.386906 (E_RNA) where: Base-Base interactions energy: -36.389 where: short stacking energy: -36.158 Base-Backbone interact. energy: -0.114 local terms energy: -47.884274 where: bonds (distance) C4'-P energy: -11.652 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -9.629 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -5.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -84.372639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.372639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.372639 (E_RNA) where: Base-Base interactions energy: -26.111 where: short stacking energy: -26.941 Base-Backbone interact. energy: -0.466 local terms energy: -57.795400 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -8.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -75.595023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.595023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.595023 (E_RNA) where: Base-Base interactions energy: -37.886 where: short stacking energy: -16.515 Base-Backbone interact. energy: -0.596 local terms energy: -37.113263 where: bonds (distance) C4'-P energy: -10.534 bonds (distance) P-C4' energy: -12.305 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -2.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -156.525226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.525226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.525226 (E_RNA) where: Base-Base interactions energy: -92.325 where: short stacking energy: -60.409 Base-Backbone interact. energy: -0.090 local terms energy: -64.109796 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -159.903343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.903343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.903343 (E_RNA) where: Base-Base interactions energy: -94.964 where: short stacking energy: -55.955 Base-Backbone interact. energy: -0.075 local terms energy: -64.864198 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: -11.880 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: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -156.833559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.833559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.833559 (E_RNA) where: Base-Base interactions energy: -96.298 where: short stacking energy: -61.029 Base-Backbone interact. energy: -0.150 local terms energy: -60.385948 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -14.115 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -13.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -138.685171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.685171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.685171 (E_RNA) where: Base-Base interactions energy: -84.283 where: short stacking energy: -54.375 Base-Backbone interact. energy: -0.088 local terms energy: -54.313774 where: bonds (distance) C4'-P energy: -10.605 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -11.312 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: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -131.908853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.908853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.908853 (E_RNA) where: Base-Base interactions energy: -75.955 where: short stacking energy: -47.378 Base-Backbone interact. energy: -1.018 local terms energy: -54.936206 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -8.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -91.746695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.746695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.746695 (E_RNA) where: Base-Base interactions energy: -41.747 where: short stacking energy: -41.709 Base-Backbone interact. energy: -0.124 local terms energy: -49.875339 where: bonds (distance) C4'-P energy: -11.279 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -7.221 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: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -94.770759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.770759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.770759 (E_RNA) where: Base-Base interactions energy: -40.485 where: short stacking energy: -31.243 Base-Backbone interact. energy: 0.119 local terms energy: -54.404720 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -7.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -86.300994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.300994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.300994 (E_RNA) where: Base-Base interactions energy: -38.415 where: short stacking energy: -38.415 Base-Backbone interact. energy: -0.388 local terms energy: -47.497996 where: bonds (distance) C4'-P energy: -10.037 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -72.915085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.915085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.915085 (E_RNA) where: Base-Base interactions energy: -40.826 where: short stacking energy: -40.826 Base-Backbone interact. energy: -0.114 local terms energy: -31.975347 where: bonds (distance) C4'-P energy: -6.539 bonds (distance) P-C4' energy: -3.217 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -70.925201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.925201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.925201 (E_RNA) where: Base-Base interactions energy: -28.644 where: short stacking energy: -28.644 Base-Backbone interact. energy: -0.371 local terms energy: -41.910177 where: bonds (distance) C4'-P energy: -5.591 bonds (distance) P-C4' energy: -11.613 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -6.854 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -156.801022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.801022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.801022 (E_RNA) where: Base-Base interactions energy: -94.277 where: short stacking energy: -63.551 Base-Backbone interact. energy: 0.457 local terms energy: -62.981889 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -10.543 flat angles P-C4'-P energy: -10.446 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -145.178583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.178583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.178583 (E_RNA) where: Base-Base interactions energy: -86.075 where: short stacking energy: -52.677 Base-Backbone interact. energy: -0.718 local terms energy: -58.385882 where: bonds (distance) C4'-P energy: -12.603 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -10.369 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: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -150.992397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.992397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.992397 (E_RNA) where: Base-Base interactions energy: -91.561 where: short stacking energy: -58.698 Base-Backbone interact. energy: -0.124 local terms energy: -59.307297 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -9.422 tors. eta vs tors. theta energy: -10.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -140.858256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.858256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.858256 (E_RNA) where: Base-Base interactions energy: -83.184 where: short stacking energy: -49.229 Base-Backbone interact. energy: -0.437 local terms energy: -57.236760 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -11.401 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: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -132.086507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.086507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.086507 (E_RNA) where: Base-Base interactions energy: -71.590 where: short stacking energy: -41.771 Base-Backbone interact. energy: -1.218 local terms energy: -59.278164 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -11.502 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -96.122122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.122122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.122122 (E_RNA) where: Base-Base interactions energy: -48.478 where: short stacking energy: -45.378 Base-Backbone interact. energy: -0.010 local terms energy: -47.634185 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -11.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -92.247013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.247013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.247013 (E_RNA) where: Base-Base interactions energy: -44.084 where: short stacking energy: -35.659 Base-Backbone interact. energy: -1.277 local terms energy: -46.885833 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -3.861 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: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -78.577214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.577214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.577214 (E_RNA) where: Base-Base interactions energy: -37.169 where: short stacking energy: -31.576 Base-Backbone interact. energy: 0.296 local terms energy: -41.704134 where: bonds (distance) C4'-P energy: -9.150 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -10.743 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -84.439032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.439032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.439032 (E_RNA) where: Base-Base interactions energy: -40.157 where: short stacking energy: -22.343 Base-Backbone interact. energy: -0.103 local terms energy: -44.179031 where: bonds (distance) C4'-P energy: -9.697 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -7.366 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -71.718874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.718874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.718874 (E_RNA) where: Base-Base interactions energy: -28.164 where: short stacking energy: -28.120 Base-Backbone interact. energy: -0.155 local terms energy: -43.399972 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: 0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -153.192941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.192941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.192941 (E_RNA) where: Base-Base interactions energy: -91.843 where: short stacking energy: -63.263 Base-Backbone interact. energy: -0.000 local terms energy: -61.349626 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -14.689 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -160.808982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.808982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.808982 (E_RNA) where: Base-Base interactions energy: -102.770 where: short stacking energy: -68.180 Base-Backbone interact. energy: -0.030 local terms energy: -58.008864 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -10.519 flat angles C4'-P-C4' energy: -15.595 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -14.861 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: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -150.161202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.161202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.161202 (E_RNA) where: Base-Base interactions energy: -89.210 where: short stacking energy: -60.458 Base-Backbone interact. energy: -0.001 local terms energy: -60.950002 where: bonds (distance) C4'-P energy: -11.911 bonds (distance) P-C4' energy: -9.618 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -8.012 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: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -126.463373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.463373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.463373 (E_RNA) where: Base-Base interactions energy: -75.464 where: short stacking energy: -41.274 Base-Backbone interact. energy: -0.004 local terms energy: -50.995941 where: bonds (distance) C4'-P energy: -15.675 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -9.964 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -134.904055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.904055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.904055 (E_RNA) where: Base-Base interactions energy: -79.919 where: short stacking energy: -54.104 Base-Backbone interact. energy: -0.654 local terms energy: -54.331815 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -90.470990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.470990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.470990 (E_RNA) where: Base-Base interactions energy: -42.685 where: short stacking energy: -37.291 Base-Backbone interact. energy: -0.095 local terms energy: -47.691505 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -97.576618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.576618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.576618 (E_RNA) where: Base-Base interactions energy: -49.415 where: short stacking energy: -45.401 Base-Backbone interact. energy: -0.235 local terms energy: -47.926894 where: bonds (distance) C4'-P energy: -10.030 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -85.675637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.675637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.675637 (E_RNA) where: Base-Base interactions energy: -40.200 where: short stacking energy: -40.200 Base-Backbone interact. energy: -0.001 local terms energy: -45.474249 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -9.389 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -8.972 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: 258 Temperature: 1.300000 Total energy: -78.514751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.514751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.514751 (E_RNA) where: Base-Base interactions energy: -25.317 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.054 local terms energy: -53.143647 where: bonds (distance) C4'-P energy: -9.674 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -11.253 tors. eta vs tors. theta energy: -6.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -70.969341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.969341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.969341 (E_RNA) where: Base-Base interactions energy: -25.036 where: short stacking energy: -21.530 Base-Backbone interact. energy: 0.949 local terms energy: -46.881760 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -9.167 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -9.617 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -161.732183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.732183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.732183 (E_RNA) where: Base-Base interactions energy: -95.214 where: short stacking energy: -61.130 Base-Backbone interact. energy: -0.009 local terms energy: -66.508917 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -12.416 tors. eta vs tors. theta energy: -12.816 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: 2, replica: 3 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -167.751624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.751624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.751624 (E_RNA) where: Base-Base interactions energy: -104.398 where: short stacking energy: -65.428 Base-Backbone interact. energy: -0.001 local terms energy: -63.352661 where: bonds (distance) C4'-P energy: -10.931 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -7.268 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: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -142.288230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.288230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.288230 (E_RNA) where: Base-Base interactions energy: -90.825 where: short stacking energy: -55.969 Base-Backbone interact. energy: 0.346 local terms energy: -51.810007 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -8.537 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: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -155.926335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.926335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.926335 (E_RNA) where: Base-Base interactions energy: -91.137 where: short stacking energy: -58.554 Base-Backbone interact. energy: -0.088 local terms energy: -64.701768 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -9.333 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: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -117.482192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.482192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.482192 (E_RNA) where: Base-Base interactions energy: -66.817 where: short stacking energy: -40.189 Base-Backbone interact. energy: 0.041 local terms energy: -50.705685 where: bonds (distance) C4'-P energy: -7.769 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -6.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -104.323598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.323598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.323598 (E_RNA) where: Base-Base interactions energy: -61.553 where: short stacking energy: -34.564 Base-Backbone interact. energy: 1.132 local terms energy: -43.902377 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -0.685 tors. eta vs tors. theta energy: -6.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -99.151743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.151743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.151743 (E_RNA) where: Base-Base interactions energy: -51.087 where: short stacking energy: -42.337 Base-Backbone interact. energy: -0.486 local terms energy: -47.578885 where: bonds (distance) C4'-P energy: -10.877 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -86.194811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.194811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.194811 (E_RNA) where: Base-Base interactions energy: -36.436 where: short stacking energy: -35.243 Base-Backbone interact. energy: -0.019 local terms energy: -49.738994 where: bonds (distance) C4'-P energy: -9.602 bonds (distance) P-C4' energy: -12.471 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -8.651 tors. eta vs tors. theta energy: -6.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -79.200289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.200289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.200289 (E_RNA) where: Base-Base interactions energy: -41.422 where: short stacking energy: -37.421 Base-Backbone interact. energy: -0.515 local terms energy: -37.262898 where: bonds (distance) C4'-P energy: -9.276 bonds (distance) P-C4' energy: -9.490 flat angles C4'-P-C4' energy: -11.131 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -74.344143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.344143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.344143 (E_RNA) where: Base-Base interactions energy: -37.270 where: short stacking energy: -17.600 Base-Backbone interact. energy: -0.717 local terms energy: -36.357458 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -171.801695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.801695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.801695 (E_RNA) where: Base-Base interactions energy: -108.797 where: short stacking energy: -68.447 Base-Backbone interact. energy: -0.001 local terms energy: -63.003592 where: bonds (distance) C4'-P energy: -10.061 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -7.307 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: 2, replica: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -138.475915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.475915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.475915 (E_RNA) where: Base-Base interactions energy: -83.562 where: short stacking energy: -46.927 Base-Backbone interact. energy: -0.002 local terms energy: -54.911304 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -9.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -154.302168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.302168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.302168 (E_RNA) where: Base-Base interactions energy: -93.187 where: short stacking energy: -55.000 Base-Backbone interact. energy: -1.197 local terms energy: -59.918366 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -15.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -142.034848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.034848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.034848 (E_RNA) where: Base-Base interactions energy: -79.298 where: short stacking energy: -50.917 Base-Backbone interact. energy: -0.298 local terms energy: -62.438414 where: bonds (distance) C4'-P energy: -15.050 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -14.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -133.850507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.850507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.850507 (E_RNA) where: Base-Base interactions energy: -83.253 where: short stacking energy: -36.762 Base-Backbone interact. energy: 1.380 local terms energy: -51.976679 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -11.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -123.950587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.950587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.950587 (E_RNA) where: Base-Base interactions energy: -71.531 where: short stacking energy: -38.502 Base-Backbone interact. energy: -0.023 local terms energy: -52.396879 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -10.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -84.082749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.082749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.082749 (E_RNA) where: Base-Base interactions energy: -37.844 where: short stacking energy: -36.878 Base-Backbone interact. energy: -0.221 local terms energy: -46.017889 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -5.685 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -81.883596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.883596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.883596 (E_RNA) where: Base-Base interactions energy: -36.376 where: short stacking energy: -34.845 Base-Backbone interact. energy: -0.134 local terms energy: -45.373903 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -75.009238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.009238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.009238 (E_RNA) where: Base-Base interactions energy: -30.026 where: short stacking energy: -30.026 Base-Backbone interact. energy: -0.174 local terms energy: -44.809247 where: bonds (distance) C4'-P energy: -10.272 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -7.040 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -77.375716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.375716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.375716 (E_RNA) where: Base-Base interactions energy: -35.715 where: short stacking energy: -25.151 Base-Backbone interact. energy: -0.237 local terms energy: -41.424516 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -155.463200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.463200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.463200 (E_RNA) where: Base-Base interactions energy: -97.959 where: short stacking energy: -57.614 Base-Backbone interact. energy: -0.440 local terms energy: -57.064070 where: bonds (distance) C4'-P energy: -10.720 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -8.422 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: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -160.686396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.686396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.686396 (E_RNA) where: Base-Base interactions energy: -103.280 where: short stacking energy: -65.628 Base-Backbone interact. energy: -0.007 local terms energy: -57.399423 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -14.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -135.438019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.438019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.438019 (E_RNA) where: Base-Base interactions energy: -86.539 where: short stacking energy: -55.092 Base-Backbone interact. energy: -0.398 local terms energy: -48.500855 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -9.639 flat angles P-C4'-P energy: -9.393 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: 4, replica: 7 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -139.254370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.254370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.254370 (E_RNA) where: Base-Base interactions energy: -92.946 where: short stacking energy: -52.118 Base-Backbone interact. energy: -0.064 local terms energy: -46.243901 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -8.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -138.233827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.233827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.233827 (E_RNA) where: Base-Base interactions energy: -89.233 where: short stacking energy: -43.466 Base-Backbone interact. energy: 0.996 local terms energy: -49.996643 where: bonds (distance) C4'-P energy: -10.745 bonds (distance) P-C4' energy: -10.726 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -5.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -127.702420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.702420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.702420 (E_RNA) where: Base-Base interactions energy: -80.468 where: short stacking energy: -47.602 Base-Backbone interact. energy: -0.040 local terms energy: -47.193981 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -4.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -105.632009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.632009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.632009 (E_RNA) where: Base-Base interactions energy: -50.144 where: short stacking energy: -49.257 Base-Backbone interact. energy: -0.527 local terms energy: -54.961241 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -13.339 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: 8 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -78.442437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.442437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.442437 (E_RNA) where: Base-Base interactions energy: -41.196 where: short stacking energy: -40.869 Base-Backbone interact. energy: 0.485 local terms energy: -37.731023 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -8.867 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -6.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -86.084742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.084742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.084742 (E_RNA) where: Base-Base interactions energy: -36.589 where: short stacking energy: -30.238 Base-Backbone interact. energy: -0.377 local terms energy: -49.118446 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -79.177362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.177362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.177362 (E_RNA) where: Base-Base interactions energy: -32.438 where: short stacking energy: -33.538 Base-Backbone interact. energy: -0.041 local terms energy: -46.698013 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -158.476484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.476484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.476484 (E_RNA) where: Base-Base interactions energy: -99.339 where: short stacking energy: -62.180 Base-Backbone interact. energy: -0.112 local terms energy: -59.025361 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -13.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -164.540609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.540609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.540609 (E_RNA) where: Base-Base interactions energy: -95.571 where: short stacking energy: -57.178 Base-Backbone interact. energy: -0.066 local terms energy: -68.903555 where: bonds (distance) C4'-P energy: -14.102 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -9.983 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: 3, replica: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -142.487952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.487952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.487952 (E_RNA) where: Base-Base interactions energy: -85.631 where: short stacking energy: -53.624 Base-Backbone interact. energy: -0.314 local terms energy: -56.542714 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -11.176 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: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -141.588526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.588526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.588526 (E_RNA) where: Base-Base interactions energy: -87.184 where: short stacking energy: -54.477 Base-Backbone interact. energy: 0.813 local terms energy: -55.218237 where: bonds (distance) C4'-P energy: -10.533 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -8.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -138.934957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.934957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.934957 (E_RNA) where: Base-Base interactions energy: -82.123 where: short stacking energy: -51.419 Base-Backbone interact. energy: -0.224 local terms energy: -56.587723 where: bonds (distance) C4'-P energy: -9.165 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -13.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -124.352967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.352967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.352967 (E_RNA) where: Base-Base interactions energy: -70.409 where: short stacking energy: -42.276 Base-Backbone interact. energy: -0.624 local terms energy: -53.320865 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -97.062572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.062572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.062572 (E_RNA) where: Base-Base interactions energy: -46.196 where: short stacking energy: -44.239 Base-Backbone interact. energy: -0.101 local terms energy: -50.765516 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -11.923 flat angles P-C4'-P energy: -4.050 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: 8, replica: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -80.893934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.893934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.893934 (E_RNA) where: Base-Base interactions energy: -30.959 where: short stacking energy: -30.231 Base-Backbone interact. energy: -0.001 local terms energy: -49.933970 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -12.230 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -8.588 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: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -84.469159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.469159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.469159 (E_RNA) where: Base-Base interactions energy: -29.179 where: short stacking energy: -28.360 Base-Backbone interact. energy: 0.834 local terms energy: -56.124312 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -11.695 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -75.692865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.692865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.692865 (E_RNA) where: Base-Base interactions energy: -30.379 where: short stacking energy: -30.379 Base-Backbone interact. energy: -0.056 local terms energy: -45.257572 where: bonds (distance) C4'-P energy: -8.926 bonds (distance) P-C4' energy: -10.088 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -8.807 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -163.264973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.264973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.264973 (E_RNA) where: Base-Base interactions energy: -96.695 where: short stacking energy: -65.078 Base-Backbone interact. energy: -0.115 local terms energy: -66.455736 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -17.908 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: 2, replica: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -151.785771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.785771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.785771 (E_RNA) where: Base-Base interactions energy: -92.874 where: short stacking energy: -59.885 Base-Backbone interact. energy: -0.012 local terms energy: -58.899243 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -11.870 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -13.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -144.679127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.679127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.679127 (E_RNA) where: Base-Base interactions energy: -83.967 where: short stacking energy: -55.962 Base-Backbone interact. energy: -0.408 local terms energy: -60.304469 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -13.773 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -14.872 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: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -122.971097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.971097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.971097 (E_RNA) where: Base-Base interactions energy: -67.432 where: short stacking energy: -32.288 Base-Backbone interact. energy: -0.984 local terms energy: -54.555390 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -14.094 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -8.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -131.026065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.026065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.026065 (E_RNA) where: Base-Base interactions energy: -75.106 where: short stacking energy: -41.836 Base-Backbone interact. energy: -0.065 local terms energy: -55.854997 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -128.267765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.267765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.267765 (E_RNA) where: Base-Base interactions energy: -72.470 where: short stacking energy: -47.460 Base-Backbone interact. energy: -0.004 local terms energy: -55.793957 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -10.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -86.090362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.090362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.090362 (E_RNA) where: Base-Base interactions energy: -40.007 where: short stacking energy: -40.007 Base-Backbone interact. energy: -0.019 local terms energy: -46.064647 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -82.452186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.452186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.452186 (E_RNA) where: Base-Base interactions energy: -39.359 where: short stacking energy: -27.182 Base-Backbone interact. energy: -0.201 local terms energy: -42.891829 where: bonds (distance) C4'-P energy: -7.997 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -80.599979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.599979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.599979 (E_RNA) where: Base-Base interactions energy: -34.236 where: short stacking energy: -34.236 Base-Backbone interact. energy: -0.417 local terms energy: -45.947709 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -71.368766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.368766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.368766 (E_RNA) where: Base-Base interactions energy: -32.354 where: short stacking energy: -21.290 Base-Backbone interact. energy: -0.145 local terms energy: -38.869524 where: bonds (distance) C4'-P energy: -9.856 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.451 flat angles P-C4'-P energy: -0.204 tors. eta vs tors. theta energy: -0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -171.796975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.796975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.796975 (E_RNA) where: Base-Base interactions energy: -104.777 where: short stacking energy: -71.739 Base-Backbone interact. energy: -0.001 local terms energy: -67.018612 where: bonds (distance) C4'-P energy: -13.585 bonds (distance) P-C4' energy: -15.809 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -8.392 tors. eta vs tors. theta energy: -15.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -142.387395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.387395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.387395 (E_RNA) where: Base-Base interactions energy: -85.557 where: short stacking energy: -53.969 Base-Backbone interact. energy: -0.080 local terms energy: -56.749838 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -8.438 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: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -146.670315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.670315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.670315 (E_RNA) where: Base-Base interactions energy: -86.246 where: short stacking energy: -50.369 Base-Backbone interact. energy: -0.082 local terms energy: -60.342445 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -15.949 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -139.448271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.448271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.448271 (E_RNA) where: Base-Base interactions energy: -86.050 where: short stacking energy: -46.898 Base-Backbone interact. energy: -0.603 local terms energy: -52.795466 where: bonds (distance) C4'-P energy: -14.802 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -9.667 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -10.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -139.774838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.774838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.774838 (E_RNA) where: Base-Base interactions energy: -88.018 where: short stacking energy: -51.777 Base-Backbone interact. energy: -0.021 local terms energy: -51.736066 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -7.676 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -14.364 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: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -119.833164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.833164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.833164 (E_RNA) where: Base-Base interactions energy: -72.298 where: short stacking energy: -44.262 Base-Backbone interact. energy: -0.096 local terms energy: -47.438929 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -6.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -84.592090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.592090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.592090 (E_RNA) where: Base-Base interactions energy: -37.369 where: short stacking energy: -37.369 Base-Backbone interact. energy: -0.013 local terms energy: -47.210577 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -8.686 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -83.570948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.570948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.570948 (E_RNA) where: Base-Base interactions energy: -34.373 where: short stacking energy: -34.373 Base-Backbone interact. energy: -0.257 local terms energy: -48.941192 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -12.578 tors. eta vs tors. theta energy: -5.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -80.237600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.237600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.237600 (E_RNA) where: Base-Base interactions energy: -34.605 where: short stacking energy: -33.559 Base-Backbone interact. energy: -0.173 local terms energy: -45.459825 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -9.616 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: 0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -71.830980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.830980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.830980 (E_RNA) where: Base-Base interactions energy: -25.224 where: short stacking energy: -23.023 Base-Backbone interact. energy: -0.028 local terms energy: -46.578283 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -169.894745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.894745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.894745 (E_RNA) where: Base-Base interactions energy: -100.785 where: short stacking energy: -62.889 Base-Backbone interact. energy: -0.002 local terms energy: -69.107812 where: bonds (distance) C4'-P energy: -15.365 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -147.308270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.308270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.308270 (E_RNA) where: Base-Base interactions energy: -93.310 where: short stacking energy: -59.523 Base-Backbone interact. energy: -0.100 local terms energy: -53.898314 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -141.949729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.949729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.949729 (E_RNA) where: Base-Base interactions energy: -84.015 where: short stacking energy: -49.238 Base-Backbone interact. energy: -0.002 local terms energy: -57.932926 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -9.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -138.611961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.611961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.611961 (E_RNA) where: Base-Base interactions energy: -80.437 where: short stacking energy: -56.888 Base-Backbone interact. energy: -0.010 local terms energy: -58.165054 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -11.282 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -9.023 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: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -134.854716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.854716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.854716 (E_RNA) where: Base-Base interactions energy: -75.460 where: short stacking energy: -50.803 Base-Backbone interact. energy: -0.003 local terms energy: -59.391266 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -13.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -100.833497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.833497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.833497 (E_RNA) where: Base-Base interactions energy: -40.715 where: short stacking energy: -36.075 Base-Backbone interact. energy: -0.164 local terms energy: -59.955151 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -11.670 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -10.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -125.480936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.480936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.480936 (E_RNA) where: Base-Base interactions energy: -77.599 where: short stacking energy: -42.170 Base-Backbone interact. energy: 2.497 local terms energy: -50.378899 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -11.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -97.260976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.260976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.260976 (E_RNA) where: Base-Base interactions energy: -45.815 where: short stacking energy: -33.081 Base-Backbone interact. energy: -0.403 local terms energy: -51.042825 where: bonds (distance) C4'-P energy: -9.077 bonds (distance) P-C4' energy: -13.820 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -89.879659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.879659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.879659 (E_RNA) where: Base-Base interactions energy: -32.612 where: short stacking energy: -32.612 Base-Backbone interact. energy: -0.060 local terms energy: -57.207477 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -73.864794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.864794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.864794 (E_RNA) where: Base-Base interactions energy: -32.806 where: short stacking energy: -32.806 Base-Backbone interact. energy: 0.056 local terms energy: -41.115231 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -9.694 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -156.114621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.114621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.114621 (E_RNA) where: Base-Base interactions energy: -91.971 where: short stacking energy: -60.680 Base-Backbone interact. energy: -0.100 local terms energy: -64.043593 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -10.706 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -17.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -164.073202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.073202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.073202 (E_RNA) where: Base-Base interactions energy: -103.772 where: short stacking energy: -68.399 Base-Backbone interact. energy: -0.413 local terms energy: -59.887573 where: bonds (distance) C4'-P energy: -8.775 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -8.704 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -151.526968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.526968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.526968 (E_RNA) where: Base-Base interactions energy: -87.633 where: short stacking energy: -60.847 Base-Backbone interact. energy: -0.029 local terms energy: -63.865164 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -15.091 flat angles P-C4'-P energy: -6.645 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: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -144.115499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.115499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.115499 (E_RNA) where: Base-Base interactions energy: -90.612 where: short stacking energy: -56.562 Base-Backbone interact. energy: -0.004 local terms energy: -53.498817 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -10.601 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -9.684 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: 9 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -138.430177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.430177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.430177 (E_RNA) where: Base-Base interactions energy: -82.959 where: short stacking energy: -50.721 Base-Backbone interact. energy: -0.454 local terms energy: -55.017214 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -10.415 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -13.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -95.433704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.433704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.433704 (E_RNA) where: Base-Base interactions energy: -47.493 where: short stacking energy: -46.427 Base-Backbone interact. energy: -0.098 local terms energy: -47.843039 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -7.045 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -128.430446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.430446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.430446 (E_RNA) where: Base-Base interactions energy: -72.811 where: short stacking energy: -44.116 Base-Backbone interact. energy: -0.059 local terms energy: -55.559565 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -13.977 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -9.146 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -81.839856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.839856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.839856 (E_RNA) where: Base-Base interactions energy: -45.282 where: short stacking energy: -25.110 Base-Backbone interact. energy: -1.225 local terms energy: -35.332435 where: bonds (distance) C4'-P energy: -9.336 bonds (distance) P-C4' energy: -14.013 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -84.559491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.559491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.559491 (E_RNA) where: Base-Base interactions energy: -35.375 where: short stacking energy: -35.375 Base-Backbone interact. energy: -0.092 local terms energy: -49.093077 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -5.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -92.802914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.802914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.802914 (E_RNA) where: Base-Base interactions energy: -43.269 where: short stacking energy: -36.515 Base-Backbone interact. energy: -0.107 local terms energy: -49.426711 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -9.594 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -9.202 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: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -161.706666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.706666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.706666 (E_RNA) where: Base-Base interactions energy: -97.384 where: short stacking energy: -66.371 Base-Backbone interact. energy: -0.700 local terms energy: -63.623472 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -8.036 tors. eta vs tors. theta energy: -15.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -157.539340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.539340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.539340 (E_RNA) where: Base-Base interactions energy: -88.961 where: short stacking energy: -63.139 Base-Backbone interact. energy: 0.529 local terms energy: -69.107045 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -163.619653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.619653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.619653 (E_RNA) where: Base-Base interactions energy: -96.871 where: short stacking energy: -64.258 Base-Backbone interact. energy: -0.004 local terms energy: -66.744701 where: bonds (distance) C4'-P energy: -14.885 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -18.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -134.989541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.989541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.989541 (E_RNA) where: Base-Base interactions energy: -85.407 where: short stacking energy: -55.245 Base-Backbone interact. energy: -0.736 local terms energy: -48.846228 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -125.306465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.306465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.306465 (E_RNA) where: Base-Base interactions energy: -72.052 where: short stacking energy: -44.865 Base-Backbone interact. energy: -0.288 local terms energy: -52.967012 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -132.571399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.571399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.571399 (E_RNA) where: Base-Base interactions energy: -76.342 where: short stacking energy: -44.887 Base-Backbone interact. energy: -0.101 local terms energy: -56.128431 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -107.430115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.430115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.430115 (E_RNA) where: Base-Base interactions energy: -49.707 where: short stacking energy: -49.707 Base-Backbone interact. energy: -0.001 local terms energy: -57.722210 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -14.092 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: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -82.063659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.063659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.063659 (E_RNA) where: Base-Base interactions energy: -34.510 where: short stacking energy: -34.510 Base-Backbone interact. energy: -0.093 local terms energy: -47.460693 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -9.788 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -84.308798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.308798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.308798 (E_RNA) where: Base-Base interactions energy: -34.801 where: short stacking energy: -33.493 Base-Backbone interact. energy: -0.361 local terms energy: -49.146268 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -67.470806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.470806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.470806 (E_RNA) where: Base-Base interactions energy: -28.336 where: short stacking energy: -24.143 Base-Backbone interact. energy: -0.228 local terms energy: -38.906493 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -0.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -171.883259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.883259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.883259 (E_RNA) where: Base-Base interactions energy: -103.863 where: short stacking energy: -72.953 Base-Backbone interact. energy: -0.001 local terms energy: -68.019854 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -12.228 tors. eta vs tors. theta energy: -16.751 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: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -149.661525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.661525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.661525 (E_RNA) where: Base-Base interactions energy: -89.809 where: short stacking energy: -57.187 Base-Backbone interact. energy: -0.000 local terms energy: -59.852349 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -10.721 flat angles C4'-P-C4' energy: -10.936 flat angles P-C4'-P energy: -8.191 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: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -155.680181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.680181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.680181 (E_RNA) where: Base-Base interactions energy: -97.942 where: short stacking energy: -53.092 Base-Backbone interact. energy: -0.335 local terms energy: -57.403360 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -11.068 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: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -134.498621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.498621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.498621 (E_RNA) where: Base-Base interactions energy: -80.712 where: short stacking energy: -48.290 Base-Backbone interact. energy: -0.451 local terms energy: -53.335461 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -135.550499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.550499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.550499 (E_RNA) where: Base-Base interactions energy: -83.983 where: short stacking energy: -52.238 Base-Backbone interact. energy: -0.046 local terms energy: -51.522028 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -9.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -121.924565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.924565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.924565 (E_RNA) where: Base-Base interactions energy: -69.412 where: short stacking energy: -42.160 Base-Backbone interact. energy: -0.133 local terms energy: -52.379483 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -11.810 flat angles C4'-P-C4' energy: -10.655 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -89.134307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.134307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.134307 (E_RNA) where: Base-Base interactions energy: -38.673 where: short stacking energy: -38.673 Base-Backbone interact. energy: -0.001 local terms energy: -50.459769 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -12.287 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -81.492045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.492045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.492045 (E_RNA) where: Base-Base interactions energy: -34.658 where: short stacking energy: -30.247 Base-Backbone interact. energy: -0.049 local terms energy: -46.784994 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -10.443 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -5.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -101.294469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.294469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.294469 (E_RNA) where: Base-Base interactions energy: -52.083 where: short stacking energy: -25.939 Base-Backbone interact. energy: -0.169 local terms energy: -49.042444 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -10.106 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -76.999399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.999399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.999399 (E_RNA) where: Base-Base interactions energy: -27.302 where: short stacking energy: -26.620 Base-Backbone interact. energy: -0.090 local terms energy: -49.606733 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -164.298038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.298038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.298038 (E_RNA) where: Base-Base interactions energy: -93.520 where: short stacking energy: -62.159 Base-Backbone interact. energy: -0.007 local terms energy: -70.771797 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -13.144 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -11.864 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -147.589889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.589889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.589889 (E_RNA) where: Base-Base interactions energy: -83.472 where: short stacking energy: -47.180 Base-Backbone interact. energy: -0.002 local terms energy: -64.115743 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -11.155 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -15.423 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: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -154.145074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.145074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.145074 (E_RNA) where: Base-Base interactions energy: -95.142 where: short stacking energy: -48.495 Base-Backbone interact. energy: 0.646 local terms energy: -59.648601 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.987 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -9.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -133.999074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.999074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.999074 (E_RNA) where: Base-Base interactions energy: -75.590 where: short stacking energy: -43.776 Base-Backbone interact. energy: -0.004 local terms energy: -58.404579 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -5.274 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: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -131.608991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.608991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.608991 (E_RNA) where: Base-Base interactions energy: -75.929 where: short stacking energy: -38.858 Base-Backbone interact. energy: -0.093 local terms energy: -55.586606 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -122.552406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.552406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.552406 (E_RNA) where: Base-Base interactions energy: -69.771 where: short stacking energy: -38.336 Base-Backbone interact. energy: -0.010 local terms energy: -52.771605 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -11.314 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -85.262529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.262529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.262529 (E_RNA) where: Base-Base interactions energy: -37.708 where: short stacking energy: -37.708 Base-Backbone interact. energy: -0.017 local terms energy: -47.537826 where: bonds (distance) C4'-P energy: -8.772 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -9.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -79.481791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.481791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.481791 (E_RNA) where: Base-Base interactions energy: -35.403 where: short stacking energy: -35.403 Base-Backbone interact. energy: -0.122 local terms energy: -43.957475 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -2.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -75.862238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.862238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.862238 (E_RNA) where: Base-Base interactions energy: -30.399 where: short stacking energy: -30.399 Base-Backbone interact. energy: -0.020 local terms energy: -45.443852 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -8.620 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -76.632997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.632997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.632997 (E_RNA) where: Base-Base interactions energy: -32.998 where: short stacking energy: -32.998 Base-Backbone interact. energy: -0.012 local terms energy: -43.622094 where: bonds (distance) C4'-P energy: -8.124 bonds (distance) P-C4' energy: -11.653 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -2.627 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: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -160.677102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.677102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.677102 (E_RNA) where: Base-Base interactions energy: -97.232 where: short stacking energy: -61.880 Base-Backbone interact. energy: -0.004 local terms energy: -63.441370 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -14.735 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: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -153.489890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.489890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.489890 (E_RNA) where: Base-Base interactions energy: -89.628 where: short stacking energy: -57.870 Base-Backbone interact. energy: -0.472 local terms energy: -63.390395 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -9.532 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: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -147.267301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.267301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.267301 (E_RNA) where: Base-Base interactions energy: -91.569 where: short stacking energy: -50.893 Base-Backbone interact. energy: -0.059 local terms energy: -55.638780 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -9.257 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -10.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -141.391098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.391098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.391098 (E_RNA) where: Base-Base interactions energy: -85.280 where: short stacking energy: -60.124 Base-Backbone interact. energy: -0.010 local terms energy: -56.101113 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -10.347 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: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -128.963343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.963343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.963343 (E_RNA) where: Base-Base interactions energy: -73.567 where: short stacking energy: -42.003 Base-Backbone interact. energy: -0.101 local terms energy: -55.294578 where: bonds (distance) C4'-P energy: -11.130 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -8.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -135.275936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.275936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.275936 (E_RNA) where: Base-Base interactions energy: -84.375 where: short stacking energy: -52.619 Base-Backbone interact. energy: -0.103 local terms energy: -50.797151 where: bonds (distance) C4'-P energy: -10.600 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -9.636 flat angles P-C4'-P energy: -6.585 tors. eta vs tors. theta energy: -8.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -100.029799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.029799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.029799 (E_RNA) where: Base-Base interactions energy: -51.268 where: short stacking energy: -46.872 Base-Backbone interact. energy: -0.022 local terms energy: -48.739659 where: bonds (distance) C4'-P energy: -8.885 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -10.842 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -7.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -85.472487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.472487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.472487 (E_RNA) where: Base-Base interactions energy: -33.332 where: short stacking energy: -35.632 Base-Backbone interact. energy: -0.280 local terms energy: -51.859780 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -12.881 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -76.794043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.794043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.794043 (E_RNA) where: Base-Base interactions energy: -34.996 where: short stacking energy: -36.696 Base-Backbone interact. energy: -0.207 local terms energy: -41.591877 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -8.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -75.124326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.124326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.124326 (E_RNA) where: Base-Base interactions energy: -23.197 where: short stacking energy: -20.234 Base-Backbone interact. energy: 0.157 local terms energy: -52.084109 where: bonds (distance) C4'-P energy: -13.642 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -158.597118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.597118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.597118 (E_RNA) where: Base-Base interactions energy: -92.737 where: short stacking energy: -58.802 Base-Backbone interact. energy: -0.004 local terms energy: -65.855235 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -14.559 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -13.109 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: 271 Temperature: 0.950000 Total energy: -166.687331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.687331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.687331 (E_RNA) where: Base-Base interactions energy: -102.394 where: short stacking energy: -69.831 Base-Backbone interact. energy: -0.001 local terms energy: -64.291904 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -9.758 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: 3, replica: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -137.351957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.351957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.351957 (E_RNA) where: Base-Base interactions energy: -83.379 where: short stacking energy: -49.036 Base-Backbone interact. energy: -0.302 local terms energy: -53.671250 where: bonds (distance) C4'-P energy: -6.949 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -9.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -138.631351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.631351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.631351 (E_RNA) where: Base-Base interactions energy: -84.421 where: short stacking energy: -49.267 Base-Backbone interact. energy: -0.192 local terms energy: -54.017515 where: bonds (distance) C4'-P energy: -11.216 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -8.336 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: 5, replica: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -126.568242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.568242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.568242 (E_RNA) where: Base-Base interactions energy: -70.655 where: short stacking energy: -42.691 Base-Backbone interact. energy: -0.045 local terms energy: -55.868170 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -11.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -97.547369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.547369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.547369 (E_RNA) where: Base-Base interactions energy: -53.321 where: short stacking energy: -42.608 Base-Backbone interact. energy: -0.046 local terms energy: -44.180032 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -11.353 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -5.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -118.378538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.378538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.378538 (E_RNA) where: Base-Base interactions energy: -77.587 where: short stacking energy: -50.078 Base-Backbone interact. energy: -0.646 local terms energy: -40.145879 where: bonds (distance) C4'-P energy: -7.376 bonds (distance) P-C4' energy: -8.713 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -11.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -87.418067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.418067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.418067 (E_RNA) where: Base-Base interactions energy: -40.306 where: short stacking energy: -40.306 Base-Backbone interact. energy: -0.087 local terms energy: -47.024937 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -10.002 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: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -79.083340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.083340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.083340 (E_RNA) where: Base-Base interactions energy: -38.436 where: short stacking energy: -36.176 Base-Backbone interact. energy: -0.098 local terms energy: -40.548804 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -12.136 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -77.737335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.737335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.737335 (E_RNA) where: Base-Base interactions energy: -33.433 where: short stacking energy: -15.765 Base-Backbone interact. energy: -1.714 local terms energy: -42.590418 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -1.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -159.447020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.447020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.447020 (E_RNA) where: Base-Base interactions energy: -95.174 where: short stacking energy: -64.118 Base-Backbone interact. energy: 0.214 local terms energy: -64.486992 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -11.437 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: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -155.669571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.669571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.669571 (E_RNA) where: Base-Base interactions energy: -91.883 where: short stacking energy: -60.501 Base-Backbone interact. energy: -0.000 local terms energy: -63.786560 where: bonds (distance) C4'-P energy: -10.529 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -17.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -139.238563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.238563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.238563 (E_RNA) where: Base-Base interactions energy: -81.248 where: short stacking energy: -53.156 Base-Backbone interact. energy: -0.269 local terms energy: -57.721957 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -10.044 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: 4, replica: 9 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -134.653365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.653365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.653365 (E_RNA) where: Base-Base interactions energy: -74.812 where: short stacking energy: -42.694 Base-Backbone interact. energy: -0.001 local terms energy: -59.840979 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -8.632 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: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -121.383086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.383086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.383086 (E_RNA) where: Base-Base interactions energy: -73.542 where: short stacking energy: -38.565 Base-Backbone interact. energy: -0.078 local terms energy: -47.763698 where: bonds (distance) C4'-P energy: -6.692 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -8.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -85.907154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.907154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.907154 (E_RNA) where: Base-Base interactions energy: -38.053 where: short stacking energy: -37.758 Base-Backbone interact. energy: -0.300 local terms energy: -47.553624 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -3.075 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: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -131.088878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.088878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.088878 (E_RNA) where: Base-Base interactions energy: -73.849 where: short stacking energy: -45.321 Base-Backbone interact. energy: -0.112 local terms energy: -57.127722 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -12.948 flat angles P-C4'-P energy: -8.464 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: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -89.381697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.381697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.381697 (E_RNA) where: Base-Base interactions energy: -41.951 where: short stacking energy: -41.951 Base-Backbone interact. energy: -0.226 local terms energy: -47.204759 where: bonds (distance) C4'-P energy: -9.495 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -8.894 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: 9, replica: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -86.279535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.279535 (E_RNA) where: Base-Base interactions energy: -41.459 where: short stacking energy: -41.459 Base-Backbone interact. energy: -0.135 local terms energy: -44.685037 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -14.990 flat angles P-C4'-P energy: 0.324 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -69.282576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.282576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.282576 (E_RNA) where: Base-Base interactions energy: -22.107 where: short stacking energy: -22.107 Base-Backbone interact. energy: -0.204 local terms energy: -46.971524 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -10.310 flat angles P-C4'-P energy: -8.949 tors. eta vs tors. theta energy: -0.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -157.920044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.920044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.920044 (E_RNA) where: Base-Base interactions energy: -93.873 where: short stacking energy: -57.317 Base-Backbone interact. energy: -0.041 local terms energy: -64.006557 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -17.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -148.050897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.050897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.050897 (E_RNA) where: Base-Base interactions energy: -82.062 where: short stacking energy: -53.148 Base-Backbone interact. energy: -0.390 local terms energy: -65.598432 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -12.510 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: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -150.860931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.860931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.860931 (E_RNA) where: Base-Base interactions energy: -84.812 where: short stacking energy: -55.804 Base-Backbone interact. energy: -0.002 local terms energy: -66.047069 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -15.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -140.672332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.672332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.672332 (E_RNA) where: Base-Base interactions energy: -81.626 where: short stacking energy: -46.188 Base-Backbone interact. energy: -0.916 local terms energy: -58.130821 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -10.366 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: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -127.003014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.003014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.003014 (E_RNA) where: Base-Base interactions energy: -79.085 where: short stacking energy: -42.949 Base-Backbone interact. energy: -0.111 local terms energy: -47.807065 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: -7.407 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: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -83.161820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.161820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.161820 (E_RNA) where: Base-Base interactions energy: -33.748 where: short stacking energy: -33.434 Base-Backbone interact. energy: -0.885 local terms energy: -48.528594 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -94.784101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.784101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.784101 (E_RNA) where: Base-Base interactions energy: -38.700 where: short stacking energy: -36.496 Base-Backbone interact. energy: -0.055 local terms energy: -56.029168 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -13.065 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -80.533690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.533690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.533690 (E_RNA) where: Base-Base interactions energy: -34.879 where: short stacking energy: -32.456 Base-Backbone interact. energy: -0.042 local terms energy: -45.612388 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -10.944 flat angles C4'-P-C4' energy: -8.962 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -74.658397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.658397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.658397 (E_RNA) where: Base-Base interactions energy: -38.009 where: short stacking energy: -37.019 Base-Backbone interact. energy: -1.362 local terms energy: -35.287341 where: bonds (distance) C4'-P energy: -8.732 bonds (distance) P-C4' energy: -9.558 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -76.756430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.756430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.756430 (E_RNA) where: Base-Base interactions energy: -35.203 where: short stacking energy: -30.888 Base-Backbone interact. energy: -0.088 local terms energy: -41.465211 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -3.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -147.024573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.024573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.024573 (E_RNA) where: Base-Base interactions energy: -88.542 where: short stacking energy: -57.091 Base-Backbone interact. energy: -0.011 local terms energy: -58.471261 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -11.611 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -11.133 tors. eta vs tors. theta energy: -10.242 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: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -162.861985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.861985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.861985 (E_RNA) where: Base-Base interactions energy: -96.056 where: short stacking energy: -60.983 Base-Backbone interact. energy: -0.136 local terms energy: -66.670300 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -10.915 tors. eta vs tors. theta energy: -18.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -149.566252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.566252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.566252 (E_RNA) where: Base-Base interactions energy: -88.447 where: short stacking energy: -58.135 Base-Backbone interact. energy: -0.160 local terms energy: -60.958694 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -14.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -142.513218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.513218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.513218 (E_RNA) where: Base-Base interactions energy: -82.004 where: short stacking energy: -54.220 Base-Backbone interact. energy: -0.117 local terms energy: -60.392339 where: bonds (distance) C4'-P energy: -13.747 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -13.091 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: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -118.501116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.501116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.501116 (E_RNA) where: Base-Base interactions energy: -67.790 where: short stacking energy: -41.394 Base-Backbone interact. energy: -0.233 local terms energy: -50.478107 where: bonds (distance) C4'-P energy: -8.576 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -96.036481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.036481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.036481 (E_RNA) where: Base-Base interactions energy: -45.403 where: short stacking energy: -34.928 Base-Backbone interact. energy: -0.718 local terms energy: -49.915806 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -7.056 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: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -91.576862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.576862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.576862 (E_RNA) where: Base-Base interactions energy: -48.425 where: short stacking energy: -30.642 Base-Backbone interact. energy: -0.128 local terms energy: -43.023536 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -89.908628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.908628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.908628 (E_RNA) where: Base-Base interactions energy: -41.692 where: short stacking energy: -32.509 Base-Backbone interact. energy: -0.462 local terms energy: -47.754833 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -10.073 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -83.072785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072785 (E_RNA) where: Base-Base interactions energy: -33.906 where: short stacking energy: -33.906 Base-Backbone interact. energy: -0.174 local terms energy: -48.993449 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -10.885 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -81.285957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.285957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.285957 (E_RNA) where: Base-Base interactions energy: -31.455 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.012 local terms energy: -49.818282 where: bonds (distance) C4'-P energy: -6.700 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -146.608151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.608151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.608151 (E_RNA) where: Base-Base interactions energy: -83.897 where: short stacking energy: -48.932 Base-Backbone interact. energy: -0.096 local terms energy: -62.614965 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -13.084 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -13.619 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: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -160.198884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.198884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.198884 (E_RNA) where: Base-Base interactions energy: -103.848 where: short stacking energy: -59.240 Base-Backbone interact. energy: -0.123 local terms energy: -56.227640 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -10.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -154.405303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.405303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.405303 (E_RNA) where: Base-Base interactions energy: -91.750 where: short stacking energy: -53.601 Base-Backbone interact. energy: -0.444 local terms energy: -62.210379 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -12.092 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: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -136.284772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.284772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.284772 (E_RNA) where: Base-Base interactions energy: -86.243 where: short stacking energy: -49.400 Base-Backbone interact. energy: 0.277 local terms energy: -50.318087 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -7.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -131.205260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.205260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.205260 (E_RNA) where: Base-Base interactions energy: -79.268 where: short stacking energy: -45.277 Base-Backbone interact. energy: 0.470 local terms energy: -52.407132 where: bonds (distance) C4'-P energy: -11.022 bonds (distance) P-C4' energy: -11.755 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -6.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -101.072383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.072383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.072383 (E_RNA) where: Base-Base interactions energy: -51.405 where: short stacking energy: -44.015 Base-Backbone interact. energy: 0.516 local terms energy: -50.182892 where: bonds (distance) C4'-P energy: -7.496 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -109.703742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.703742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.703742 (E_RNA) where: Base-Base interactions energy: -64.985 where: short stacking energy: -45.590 Base-Backbone interact. energy: -0.008 local terms energy: -44.710808 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -5.318 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -80.342492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.342492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.342492 (E_RNA) where: Base-Base interactions energy: -36.931 where: short stacking energy: -34.973 Base-Backbone interact. energy: -0.212 local terms energy: -43.198919 where: bonds (distance) C4'-P energy: -4.590 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -85.394598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.394598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.394598 (E_RNA) where: Base-Base interactions energy: -40.481 where: short stacking energy: -36.904 Base-Backbone interact. energy: 0.037 local terms energy: -44.950643 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -73.433506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.433506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.433506 (E_RNA) where: Base-Base interactions energy: -35.011 where: short stacking energy: -25.436 Base-Backbone interact. energy: -0.171 local terms energy: -38.251823 where: bonds (distance) C4'-P energy: -7.118 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -11.010 flat angles P-C4'-P energy: -2.321 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -169.379233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.379233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.379233 (E_RNA) where: Base-Base interactions energy: -108.964 where: short stacking energy: -59.591 Base-Backbone interact. energy: -0.685 local terms energy: -59.730997 where: bonds (distance) C4'-P energy: -12.760 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -154.595324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.595324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.595324 (E_RNA) where: Base-Base interactions energy: -86.837 where: short stacking energy: -54.901 Base-Backbone interact. energy: -0.007 local terms energy: -67.751020 where: bonds (distance) C4'-P energy: -14.732 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -14.510 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -138.685104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.685104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.685104 (E_RNA) where: Base-Base interactions energy: -71.183 where: short stacking energy: -49.350 Base-Backbone interact. energy: -0.592 local terms energy: -66.909974 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -13.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -149.797291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.797291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.797291 (E_RNA) where: Base-Base interactions energy: -93.809 where: short stacking energy: -59.794 Base-Backbone interact. energy: -0.001 local terms energy: -55.987741 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -4.474 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: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -131.351935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.351935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.351935 (E_RNA) where: Base-Base interactions energy: -82.298 where: short stacking energy: -55.002 Base-Backbone interact. energy: -0.013 local terms energy: -49.041634 where: bonds (distance) C4'-P energy: -8.290 bonds (distance) P-C4' energy: -11.521 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -11.677 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -97.949847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.949847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.949847 (E_RNA) where: Base-Base interactions energy: -50.192 where: short stacking energy: -41.749 Base-Backbone interact. energy: -0.243 local terms energy: -47.514456 where: bonds (distance) C4'-P energy: -11.278 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -11.062 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -5.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -99.954763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.954763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.954763 (E_RNA) where: Base-Base interactions energy: -48.867 where: short stacking energy: -47.377 Base-Backbone interact. energy: -0.074 local terms energy: -51.013415 where: bonds (distance) C4'-P energy: -15.303 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -79.986737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.986737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.986737 (E_RNA) where: Base-Base interactions energy: -30.379 where: short stacking energy: -22.040 Base-Backbone interact. energy: -1.503 local terms energy: -48.104606 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: 2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -94.015731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.015731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.015731 (E_RNA) where: Base-Base interactions energy: -45.803 where: short stacking energy: -45.214 Base-Backbone interact. energy: -0.002 local terms energy: -48.210231 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -10.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -67.619191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.619191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.619191 (E_RNA) where: Base-Base interactions energy: -29.791 where: short stacking energy: -24.309 Base-Backbone interact. energy: -0.170 local terms energy: -37.658015 where: bonds (distance) C4'-P energy: -11.275 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -169.675462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.675462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.675462 (E_RNA) where: Base-Base interactions energy: -107.759 where: short stacking energy: -66.348 Base-Backbone interact. energy: -0.699 local terms energy: -61.217379 where: bonds (distance) C4'-P energy: -9.318 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -9.780 flat angles P-C4'-P energy: -11.175 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: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -136.504332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.504332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.504332 (E_RNA) where: Base-Base interactions energy: -82.559 where: short stacking energy: -50.709 Base-Backbone interact. energy: -0.089 local terms energy: -53.856325 where: bonds (distance) C4'-P energy: -11.378 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -9.577 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -11.016 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: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -143.662414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.662414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.662414 (E_RNA) where: Base-Base interactions energy: -84.160 where: short stacking energy: -53.210 Base-Backbone interact. energy: -0.092 local terms energy: -59.410511 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -10.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -149.847195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.847195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.847195 (E_RNA) where: Base-Base interactions energy: -89.577 where: short stacking energy: -57.641 Base-Backbone interact. energy: -0.531 local terms energy: -59.739658 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -12.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -136.777489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.777489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.777489 (E_RNA) where: Base-Base interactions energy: -81.842 where: short stacking energy: -43.860 Base-Backbone interact. energy: -0.035 local terms energy: -54.900548 where: bonds (distance) C4'-P energy: -14.665 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -96.201408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.201408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.201408 (E_RNA) where: Base-Base interactions energy: -47.915 where: short stacking energy: -40.261 Base-Backbone interact. energy: -0.682 local terms energy: -47.603962 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -11.243 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: -5.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -93.787754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.787754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.787754 (E_RNA) where: Base-Base interactions energy: -47.332 where: short stacking energy: -47.332 Base-Backbone interact. energy: -0.051 local terms energy: -46.404759 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -86.201056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.201056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.201056 (E_RNA) where: Base-Base interactions energy: -41.014 where: short stacking energy: -41.014 Base-Backbone interact. energy: -0.001 local terms energy: -45.185939 where: bonds (distance) C4'-P energy: -8.053 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -73.808331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.808331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.808331 (E_RNA) where: Base-Base interactions energy: -28.448 where: short stacking energy: -28.448 Base-Backbone interact. energy: 0.162 local terms energy: -45.522641 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -11.261 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -85.883767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.883767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.883767 (E_RNA) where: Base-Base interactions energy: -43.043 where: short stacking energy: -43.043 Base-Backbone interact. energy: -0.034 local terms energy: -42.806252 where: bonds (distance) C4'-P energy: -6.858 bonds (distance) P-C4' energy: -8.756 flat angles C4'-P-C4' energy: -11.609 flat angles P-C4'-P energy: -9.213 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -160.938901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.938901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.938901 (E_RNA) where: Base-Base interactions energy: -103.184 where: short stacking energy: -59.503 Base-Backbone interact. energy: -0.008 local terms energy: -57.746277 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -12.308 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: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -164.977039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.977039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.977039 (E_RNA) where: Base-Base interactions energy: -99.870 where: short stacking energy: -61.070 Base-Backbone interact. energy: -0.660 local terms energy: -64.447226 where: bonds (distance) C4'-P energy: -15.133 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -9.900 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -15.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -145.175741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.175741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.175741 (E_RNA) where: Base-Base interactions energy: -87.168 where: short stacking energy: -57.491 Base-Backbone interact. energy: -0.014 local terms energy: -57.994124 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -13.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -124.635209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.635209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.635209 (E_RNA) where: Base-Base interactions energy: -71.048 where: short stacking energy: -47.902 Base-Backbone interact. energy: -0.011 local terms energy: -53.576771 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -4.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -106.614880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.614880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.614880 (E_RNA) where: Base-Base interactions energy: -54.954 where: short stacking energy: -48.110 Base-Backbone interact. energy: -0.702 local terms energy: -50.958874 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -12.847 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -7.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -111.768070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.768070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.768070 (E_RNA) where: Base-Base interactions energy: -61.600 where: short stacking energy: -38.189 Base-Backbone interact. energy: -0.166 local terms energy: -50.002691 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -12.341 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -11.815 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: 7, replica: 4 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -83.015294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.015294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.015294 (E_RNA) where: Base-Base interactions energy: -39.478 where: short stacking energy: -39.478 Base-Backbone interact. energy: -0.152 local terms energy: -43.386249 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -83.626532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.626532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.626532 (E_RNA) where: Base-Base interactions energy: -39.017 where: short stacking energy: -38.432 Base-Backbone interact. energy: -0.246 local terms energy: -44.363670 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -10.970 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -4.106 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: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -84.055349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.055349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.055349 (E_RNA) where: Base-Base interactions energy: -36.361 where: short stacking energy: -27.057 Base-Backbone interact. energy: -0.286 local terms energy: -47.408500 where: bonds (distance) C4'-P energy: -13.830 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -79.840727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.840727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.840727 (E_RNA) where: Base-Base interactions energy: -40.692 where: short stacking energy: -18.532 Base-Backbone interact. energy: -0.238 local terms energy: -38.911000 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -12.553 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: 0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -172.359007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.359007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.359007 (E_RNA) where: Base-Base interactions energy: -105.783 where: short stacking energy: -68.320 Base-Backbone interact. energy: -0.015 local terms energy: -66.561002 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -10.428 tors. eta vs tors. theta energy: -15.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -168.272205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.272205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.272205 (E_RNA) where: Base-Base interactions energy: -101.097 where: short stacking energy: -67.108 Base-Backbone interact. energy: -0.768 local terms energy: -66.407501 where: bonds (distance) C4'-P energy: -9.845 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -18.212 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: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -129.147426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.147426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.147426 (E_RNA) where: Base-Base interactions energy: -75.734 where: short stacking energy: -44.303 Base-Backbone interact. energy: -0.211 local terms energy: -53.203013 where: bonds (distance) C4'-P energy: -10.997 bonds (distance) P-C4' energy: -12.615 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -9.168 tors. eta vs tors. theta energy: -7.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -127.344418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.344418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.344418 (E_RNA) where: Base-Base interactions energy: -73.313 where: short stacking energy: -45.327 Base-Backbone interact. energy: 0.935 local terms energy: -54.965658 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -10.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -99.434260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.434260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.434260 (E_RNA) where: Base-Base interactions energy: -44.391 where: short stacking energy: -42.390 Base-Backbone interact. energy: -0.063 local terms energy: -54.979808 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -120.779276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.779276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.779276 (E_RNA) where: Base-Base interactions energy: -68.717 where: short stacking energy: -43.434 Base-Backbone interact. energy: -0.045 local terms energy: -52.016604 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -13.703 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -4.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -93.248278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.248278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.248278 (E_RNA) where: Base-Base interactions energy: -44.724 where: short stacking energy: -43.096 Base-Backbone interact. energy: -0.233 local terms energy: -48.291736 where: bonds (distance) C4'-P energy: -8.820 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -10.226 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -79.595080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.595080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.595080 (E_RNA) where: Base-Base interactions energy: -38.732 where: short stacking energy: -38.281 Base-Backbone interact. energy: 0.380 local terms energy: -41.243186 where: bonds (distance) C4'-P energy: -10.463 bonds (distance) P-C4' energy: -6.997 flat angles C4'-P-C4' energy: -12.131 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -91.047411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.047411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.047411 (E_RNA) where: Base-Base interactions energy: -47.388 where: short stacking energy: -31.578 Base-Backbone interact. energy: -0.031 local terms energy: -43.628897 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -79.239579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.239579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.239579 (E_RNA) where: Base-Base interactions energy: -28.760 where: short stacking energy: -28.760 Base-Backbone interact. energy: -0.177 local terms energy: -50.302366 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -3.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -174.686512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.686512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.686512 (E_RNA) where: Base-Base interactions energy: -109.104 where: short stacking energy: -66.506 Base-Backbone interact. energy: -0.004 local terms energy: -65.578760 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -11.524 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -157.953975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.953975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.953975 (E_RNA) where: Base-Base interactions energy: -95.003 where: short stacking energy: -55.104 Base-Backbone interact. energy: -0.000 local terms energy: -62.950804 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -12.716 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -132.050410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.050410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.050410 (E_RNA) where: Base-Base interactions energy: -80.098 where: short stacking energy: -44.112 Base-Backbone interact. energy: -0.292 local terms energy: -51.659959 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -5.685 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: 280 Temperature: 1.050000 Total energy: -131.382102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.382102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.382102 (E_RNA) where: Base-Base interactions energy: -81.290 where: short stacking energy: -53.703 Base-Backbone interact. energy: -0.049 local terms energy: -50.042411 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -10.489 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -9.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -129.953327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.953327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.953327 (E_RNA) where: Base-Base interactions energy: -75.711 where: short stacking energy: -47.631 Base-Backbone interact. energy: -0.018 local terms energy: -54.224236 where: bonds (distance) C4'-P energy: -9.784 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -9.413 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: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -101.474650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.474650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.474650 (E_RNA) where: Base-Base interactions energy: -45.038 where: short stacking energy: -42.755 Base-Backbone interact. energy: -0.282 local terms energy: -56.155029 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -11.248 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -10.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -97.949533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.949533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.949533 (E_RNA) where: Base-Base interactions energy: -46.752 where: short stacking energy: -39.536 Base-Backbone interact. energy: -0.140 local terms energy: -51.057872 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -92.066318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.066318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.066318 (E_RNA) where: Base-Base interactions energy: -46.555 where: short stacking energy: -31.290 Base-Backbone interact. energy: -0.873 local terms energy: -44.639020 where: bonds (distance) C4'-P energy: -11.089 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -14.514 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -77.673584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.673584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.673584 (E_RNA) where: Base-Base interactions energy: -31.390 where: short stacking energy: -31.390 Base-Backbone interact. energy: -0.249 local terms energy: -46.035233 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -10.225 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -74.957729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.957729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.957729 (E_RNA) where: Base-Base interactions energy: -39.217 where: short stacking energy: -23.380 Base-Backbone interact. energy: 0.452 local terms energy: -36.192421 where: bonds (distance) C4'-P energy: -11.929 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -167.876596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.876596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.876596 (E_RNA) where: Base-Base interactions energy: -105.046 where: short stacking energy: -56.690 Base-Backbone interact. energy: -0.775 local terms energy: -62.055672 where: bonds (distance) C4'-P energy: -8.340 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -13.520 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -14.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -171.275654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.275654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.275654 (E_RNA) where: Base-Base interactions energy: -105.707 where: short stacking energy: -63.807 Base-Backbone interact. energy: -0.178 local terms energy: -65.390426 where: bonds (distance) C4'-P energy: -7.416 bonds (distance) P-C4' energy: -15.166 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -20.105 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: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -143.275256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.275256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.275256 (E_RNA) where: Base-Base interactions energy: -77.798 where: short stacking energy: -43.394 Base-Backbone interact. energy: -0.176 local terms energy: -65.301395 where: bonds (distance) C4'-P energy: -13.659 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -10.593 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: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -141.905701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.905701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.905701 (E_RNA) where: Base-Base interactions energy: -87.217 where: short stacking energy: -55.835 Base-Backbone interact. energy: -0.083 local terms energy: -54.606102 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -12.388 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -10.913 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: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -133.372065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.372065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.372065 (E_RNA) where: Base-Base interactions energy: -75.003 where: short stacking energy: -43.699 Base-Backbone interact. energy: -0.053 local terms energy: -58.316272 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -12.411 tors. eta vs tors. theta energy: -8.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -100.724436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.724436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.724436 (E_RNA) where: Base-Base interactions energy: -47.130 where: short stacking energy: -47.130 Base-Backbone interact. energy: -0.277 local terms energy: -53.318254 where: bonds (distance) C4'-P energy: -8.688 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.745 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -99.983011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.983011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.983011 (E_RNA) where: Base-Base interactions energy: -52.597 where: short stacking energy: -43.727 Base-Backbone interact. energy: -1.201 local terms energy: -46.185028 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -7.574 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -6.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -90.621466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.621466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.621466 (E_RNA) where: Base-Base interactions energy: -40.939 where: short stacking energy: -40.939 Base-Backbone interact. energy: -0.001 local terms energy: -49.682206 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -12.248 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -9.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -71.888664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.888664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.888664 (E_RNA) where: Base-Base interactions energy: -23.651 where: short stacking energy: -23.234 Base-Backbone interact. energy: -0.068 local terms energy: -48.169418 where: bonds (distance) C4'-P energy: -9.592 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -79.729168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.729168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.729168 (E_RNA) where: Base-Base interactions energy: -38.114 where: short stacking energy: -33.394 Base-Backbone interact. energy: -0.131 local terms energy: -41.484479 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -6.501 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -173.380821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.380821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.380821 (E_RNA) where: Base-Base interactions energy: -106.836 where: short stacking energy: -68.387 Base-Backbone interact. energy: -0.376 local terms energy: -66.168565 where: bonds (distance) C4'-P energy: -14.156 bonds (distance) P-C4' energy: -9.248 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -17.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -150.576488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.576488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.576488 (E_RNA) where: Base-Base interactions energy: -93.083 where: short stacking energy: -59.096 Base-Backbone interact. energy: -0.853 local terms energy: -56.640751 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -10.797 flat angles P-C4'-P energy: -7.914 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: 3, replica: 6 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -158.602544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.602544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.602544 (E_RNA) where: Base-Base interactions energy: -95.592 where: short stacking energy: -58.825 Base-Backbone interact. energy: -1.324 local terms energy: -61.686465 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -11.549 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: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -139.931317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.931317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.931317 (E_RNA) where: Base-Base interactions energy: -77.859 where: short stacking energy: -47.337 Base-Backbone interact. energy: -0.579 local terms energy: -61.493330 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -11.110 tors. eta vs tors. theta energy: -12.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -145.123259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.123259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.123259 (E_RNA) where: Base-Base interactions energy: -85.790 where: short stacking energy: -54.013 Base-Backbone interact. energy: -0.153 local terms energy: -59.180174 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -13.087 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -15.492 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: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -93.106617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.106617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.106617 (E_RNA) where: Base-Base interactions energy: -43.316 where: short stacking energy: -43.316 Base-Backbone interact. energy: -0.183 local terms energy: -49.607842 where: bonds (distance) C4'-P energy: -11.125 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -9.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -89.289371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.289371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.289371 (E_RNA) where: Base-Base interactions energy: -44.547 where: short stacking energy: -37.976 Base-Backbone interact. energy: -0.111 local terms energy: -44.630592 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -8.926 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -109.444878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.444878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.444878 (E_RNA) where: Base-Base interactions energy: -65.802 where: short stacking energy: -42.386 Base-Backbone interact. energy: -0.089 local terms energy: -43.553939 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -2.870 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: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -91.653993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.653993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.653993 (E_RNA) where: Base-Base interactions energy: -46.215 where: short stacking energy: -42.718 Base-Backbone interact. energy: -0.010 local terms energy: -45.429074 where: bonds (distance) C4'-P energy: -6.192 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -5.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -83.595705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.595705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.595705 (E_RNA) where: Base-Base interactions energy: -37.574 where: short stacking energy: -31.056 Base-Backbone interact. energy: -0.066 local terms energy: -45.955398 where: bonds (distance) C4'-P energy: -6.427 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -165.698480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.698480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.698480 (E_RNA) where: Base-Base interactions energy: -99.154 where: short stacking energy: -63.843 Base-Backbone interact. energy: -0.007 local terms energy: -66.537789 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -17.584 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: 2, replica: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -158.244668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.244668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.244668 (E_RNA) where: Base-Base interactions energy: -88.845 where: short stacking energy: -57.927 Base-Backbone interact. energy: -0.006 local terms energy: -69.393254 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -10.715 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: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -149.198512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.198512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.198512 (E_RNA) where: Base-Base interactions energy: -94.059 where: short stacking energy: -50.514 Base-Backbone interact. energy: -0.451 local terms energy: -54.688810 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -10.748 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -10.224 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: 283 Temperature: 1.050000 Total energy: -154.377474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.377474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.377474 (E_RNA) where: Base-Base interactions energy: -98.644 where: short stacking energy: -67.751 Base-Backbone interact. energy: -0.268 local terms energy: -55.465699 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -7.565 flat angles C4'-P-C4' energy: -11.302 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -15.985 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: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -128.138705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.138705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.138705 (E_RNA) where: Base-Base interactions energy: -73.306 where: short stacking energy: -44.470 Base-Backbone interact. energy: -0.947 local terms energy: -53.885484 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -10.122 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -9.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -98.961891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.961891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.961891 (E_RNA) where: Base-Base interactions energy: -46.028 where: short stacking energy: -46.028 Base-Backbone interact. energy: 3.019 local terms energy: -55.951938 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -10.115 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: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -88.518245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.518245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.518245 (E_RNA) where: Base-Base interactions energy: -36.410 where: short stacking energy: -36.410 Base-Backbone interact. energy: 1.956 local terms energy: -54.064439 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -5.642 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: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -104.249444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.249444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.249444 (E_RNA) where: Base-Base interactions energy: -62.262 where: short stacking energy: -37.007 Base-Backbone interact. energy: 2.181 local terms energy: -44.168522 where: bonds (distance) C4'-P energy: -8.385 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -6.438 tors. eta vs tors. theta energy: -5.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -120.883862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.883862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.883862 (E_RNA) where: Base-Base interactions energy: -73.950 where: short stacking energy: -41.372 Base-Backbone interact. energy: -0.176 local terms energy: -46.757944 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -9.179 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -8.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -78.303264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.303264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.303264 (E_RNA) where: Base-Base interactions energy: -30.899 where: short stacking energy: -30.419 Base-Backbone interact. energy: 0.541 local terms energy: -47.945663 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -9.848 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: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -164.772444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.772444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.772444 (E_RNA) where: Base-Base interactions energy: -96.769 where: short stacking energy: -63.263 Base-Backbone interact. energy: -0.007 local terms energy: -67.995686 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -18.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -162.787410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.787410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.787410 (E_RNA) where: Base-Base interactions energy: -99.402 where: short stacking energy: -61.465 Base-Backbone interact. energy: -0.086 local terms energy: -63.298850 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -8.992 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: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -135.084668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.084668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.084668 (E_RNA) where: Base-Base interactions energy: -80.931 where: short stacking energy: -48.512 Base-Backbone interact. energy: -0.017 local terms energy: -54.136651 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -15.013 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -6.553 tors. eta vs tors. theta energy: -11.091 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: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -137.106082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.106082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.106082 (E_RNA) where: Base-Base interactions energy: -76.068 where: short stacking energy: -51.250 Base-Backbone interact. energy: -0.736 local terms energy: -60.301733 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -11.777 flat angles P-C4'-P energy: -8.266 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: 9 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -119.368887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.368887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.368887 (E_RNA) where: Base-Base interactions energy: -67.674 where: short stacking energy: -47.841 Base-Backbone interact. energy: -0.100 local terms energy: -51.594216 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -11.122 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -8.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -102.358137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.358137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.358137 (E_RNA) where: Base-Base interactions energy: -48.705 where: short stacking energy: -48.705 Base-Backbone interact. energy: -0.003 local terms energy: -53.649821 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -9.248 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: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -84.680517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.680517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.680517 (E_RNA) where: Base-Base interactions energy: -41.668 where: short stacking energy: -33.018 Base-Backbone interact. energy: -0.185 local terms energy: -42.827026 where: bonds (distance) C4'-P energy: -9.818 bonds (distance) P-C4' energy: -9.692 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -86.627139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.627139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.627139 (E_RNA) where: Base-Base interactions energy: -47.346 where: short stacking energy: -46.863 Base-Backbone interact. energy: -0.056 local terms energy: -39.225797 where: bonds (distance) C4'-P energy: -5.732 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -9.236 flat angles P-C4'-P energy: -4.686 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: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -117.070754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.070754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.070754 (E_RNA) where: Base-Base interactions energy: -71.771 where: short stacking energy: -40.795 Base-Backbone interact. energy: -0.115 local terms energy: -45.184422 where: bonds (distance) C4'-P energy: -7.860 bonds (distance) P-C4' energy: -9.958 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -67.472623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.472623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.472623 (E_RNA) where: Base-Base interactions energy: -24.244 where: short stacking energy: -24.244 Base-Backbone interact. energy: -0.061 local terms energy: -43.167879 where: bonds (distance) C4'-P energy: -9.640 bonds (distance) P-C4' energy: -11.149 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -152.481878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.481878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.481878 (E_RNA) where: Base-Base interactions energy: -93.964 where: short stacking energy: -40.572 Base-Backbone interact. energy: -1.930 local terms energy: -56.587965 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -8.650 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: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -146.266614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.266614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.266614 (E_RNA) where: Base-Base interactions energy: -86.965 where: short stacking energy: -52.755 Base-Backbone interact. energy: -0.068 local terms energy: -59.234017 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -12.132 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -10.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -153.493115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.493115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.493115 (E_RNA) where: Base-Base interactions energy: -90.437 where: short stacking energy: -54.283 Base-Backbone interact. energy: -0.002 local terms energy: -63.054091 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -13.156 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: 9 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -131.192783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.192783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.192783 (E_RNA) where: Base-Base interactions energy: -81.667 where: short stacking energy: -42.208 Base-Backbone interact. energy: -0.119 local terms energy: -49.407344 where: bonds (distance) C4'-P energy: -8.848 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -132.481498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.481498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.481498 (E_RNA) where: Base-Base interactions energy: -76.565 where: short stacking energy: -41.089 Base-Backbone interact. energy: -0.115 local terms energy: -55.801142 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -95.717984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.717984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.717984 (E_RNA) where: Base-Base interactions energy: -37.228 where: short stacking energy: -37.228 Base-Backbone interact. energy: -0.160 local terms energy: -58.330312 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -9.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -89.863594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.863594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.863594 (E_RNA) where: Base-Base interactions energy: -49.011 where: short stacking energy: -35.281 Base-Backbone interact. energy: 0.712 local terms energy: -41.564351 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -11.413 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -6.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -123.629342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.629342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.629342 (E_RNA) where: Base-Base interactions energy: -75.069 where: short stacking energy: -35.123 Base-Backbone interact. energy: -0.189 local terms energy: -48.371957 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -12.605 flat angles C4'-P-C4' energy: -9.893 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -7.028 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: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -80.688510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.688510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.688510 (E_RNA) where: Base-Base interactions energy: -30.918 where: short stacking energy: -29.095 Base-Backbone interact. energy: -0.835 local terms energy: -48.935758 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -11.311 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -5.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -70.608934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.608934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.608934 (E_RNA) where: Base-Base interactions energy: -29.402 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.120 local terms energy: -41.087056 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -11.229 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: 2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -161.883925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.883925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.883925 (E_RNA) where: Base-Base interactions energy: -105.451 where: short stacking energy: -67.046 Base-Backbone interact. energy: 0.163 local terms energy: -56.595956 where: bonds (distance) C4'-P energy: -8.182 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -7.995 tors. eta vs tors. theta energy: -15.061 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: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -166.078261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.078261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.078261 (E_RNA) where: Base-Base interactions energy: -106.331 where: short stacking energy: -68.464 Base-Backbone interact. energy: -0.008 local terms energy: -59.739241 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -6.462 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: 3, replica: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -140.210322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.210322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.210322 (E_RNA) where: Base-Base interactions energy: -82.864 where: short stacking energy: -47.090 Base-Backbone interact. energy: -0.001 local terms energy: -57.346026 where: bonds (distance) C4'-P energy: -14.748 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -9.853 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: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -143.204858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.204858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.204858 (E_RNA) where: Base-Base interactions energy: -86.574 where: short stacking energy: -50.942 Base-Backbone interact. energy: 0.148 local terms energy: -56.779409 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -10.892 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -11.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -136.407237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.407237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.407237 (E_RNA) where: Base-Base interactions energy: -77.330 where: short stacking energy: -41.442 Base-Backbone interact. energy: -0.071 local terms energy: -59.006093 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: -10.432 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: 6, replica: 10 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -87.681226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.681226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.681226 (E_RNA) where: Base-Base interactions energy: -40.066 where: short stacking energy: -38.488 Base-Backbone interact. energy: -0.086 local terms energy: -47.529776 where: bonds (distance) C4'-P energy: -9.097 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -7.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -125.331043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.331043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.331043 (E_RNA) where: Base-Base interactions energy: -74.824 where: short stacking energy: -44.236 Base-Backbone interact. energy: 0.375 local terms energy: -50.881897 where: bonds (distance) C4'-P energy: -9.470 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -7.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -83.631180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.631180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.631180 (E_RNA) where: Base-Base interactions energy: -37.561 where: short stacking energy: -33.180 Base-Backbone interact. energy: 2.636 local terms energy: -48.706564 where: bonds (distance) C4'-P energy: -11.043 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -6.230 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: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -84.980774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.980774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.980774 (E_RNA) where: Base-Base interactions energy: -42.471 where: short stacking energy: -30.007 Base-Backbone interact. energy: -0.353 local terms energy: -42.156874 where: bonds (distance) C4'-P energy: -8.696 bonds (distance) P-C4' energy: -9.258 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -87.223260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.223260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.223260 (E_RNA) where: Base-Base interactions energy: -35.082 where: short stacking energy: -35.082 Base-Backbone interact. energy: -0.256 local terms energy: -51.885834 where: bonds (distance) C4'-P energy: -8.506 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -7.328 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: 1, replica: 7 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -168.732127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.732127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.732127 (E_RNA) where: Base-Base interactions energy: -109.310 where: short stacking energy: -61.927 Base-Backbone interact. energy: -0.280 local terms energy: -59.141401 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -11.903 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -13.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -166.999217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.999217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.999217 (E_RNA) where: Base-Base interactions energy: -106.447 where: short stacking energy: -68.775 Base-Backbone interact. energy: -0.001 local terms energy: -60.551910 where: bonds (distance) C4'-P energy: -7.879 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -13.359 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -17.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -156.173137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.173137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.173137 (E_RNA) where: Base-Base interactions energy: -94.218 where: short stacking energy: -58.338 Base-Backbone interact. energy: -0.598 local terms energy: -61.356690 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -133.341840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.341840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.341840 (E_RNA) where: Base-Base interactions energy: -79.291 where: short stacking energy: -43.411 Base-Backbone interact. energy: 0.116 local terms energy: -54.167438 where: bonds (distance) C4'-P energy: -12.218 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -129.535466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.535466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.535466 (E_RNA) where: Base-Base interactions energy: -70.763 where: short stacking energy: -43.433 Base-Backbone interact. energy: -0.008 local terms energy: -58.764588 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -11.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -124.885477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.885477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.885477 (E_RNA) where: Base-Base interactions energy: -75.937 where: short stacking energy: -46.566 Base-Backbone interact. energy: -0.003 local terms energy: -48.945617 where: bonds (distance) C4'-P energy: -12.144 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -12.517 flat angles P-C4'-P energy: -5.731 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: 7, replica: 10 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -96.694538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.694538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.694538 (E_RNA) where: Base-Base interactions energy: -54.529 where: short stacking energy: -36.397 Base-Backbone interact. energy: -0.887 local terms energy: -41.278651 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -10.679 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -81.581197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.581197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.581197 (E_RNA) where: Base-Base interactions energy: -45.295 where: short stacking energy: -41.990 Base-Backbone interact. energy: 1.575 local terms energy: -37.861403 where: bonds (distance) C4'-P energy: -6.042 bonds (distance) P-C4' energy: -12.161 flat angles C4'-P-C4' energy: -9.615 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -81.458553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.458553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.458553 (E_RNA) where: Base-Base interactions energy: -41.543 where: short stacking energy: -28.399 Base-Backbone interact. energy: -0.944 local terms energy: -38.971441 where: bonds (distance) C4'-P energy: -10.765 bonds (distance) P-C4' energy: -8.393 flat angles C4'-P-C4' energy: -9.048 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -78.702139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.702139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.702139 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -26.862 Base-Backbone interact. energy: -0.292 local terms energy: -43.349393 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -159.673717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.673717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.673717 (E_RNA) where: Base-Base interactions energy: -94.958 where: short stacking energy: -59.269 Base-Backbone interact. energy: -0.841 local terms energy: -63.874685 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -11.177 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -12.747 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: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -142.730922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.730922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.730922 (E_RNA) where: Base-Base interactions energy: -87.244 where: short stacking energy: -51.152 Base-Backbone interact. energy: -0.117 local terms energy: -55.370654 where: bonds (distance) C4'-P energy: -10.233 bonds (distance) P-C4' energy: -14.853 flat angles C4'-P-C4' energy: -12.363 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -8.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -154.418007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.418007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.418007 (E_RNA) where: Base-Base interactions energy: -90.583 where: short stacking energy: -50.784 Base-Backbone interact. energy: -0.542 local terms energy: -63.292957 where: bonds (distance) C4'-P energy: -11.122 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -11.851 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: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -140.407752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.407752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.407752 (E_RNA) where: Base-Base interactions energy: -83.281 where: short stacking energy: -52.214 Base-Backbone interact. energy: -0.060 local terms energy: -57.066872 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -12.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -127.207572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.207572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.207572 (E_RNA) where: Base-Base interactions energy: -70.994 where: short stacking energy: -42.039 Base-Backbone interact. energy: -0.045 local terms energy: -56.168787 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -10.344 flat angles C4'-P-C4' energy: -16.235 flat angles P-C4'-P energy: -11.370 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -132.788810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.788810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.788810 (E_RNA) where: Base-Base interactions energy: -74.743 where: short stacking energy: -43.912 Base-Backbone interact. energy: -0.292 local terms energy: -57.753810 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -7.014 tors. eta vs tors. theta energy: -10.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -81.288961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.288961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.288961 (E_RNA) where: Base-Base interactions energy: -42.300 where: short stacking energy: -30.343 Base-Backbone interact. energy: -0.609 local terms energy: -38.379521 where: bonds (distance) C4'-P energy: -10.956 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -10.517 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: 0.631 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: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -80.424709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.424709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.424709 (E_RNA) where: Base-Base interactions energy: -30.116 where: short stacking energy: -29.937 Base-Backbone interact. energy: -0.087 local terms energy: -50.221544 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -6.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -69.679501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.679501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.679501 (E_RNA) where: Base-Base interactions energy: -25.436 where: short stacking energy: -25.436 Base-Backbone interact. energy: -0.052 local terms energy: -44.191632 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -89.088233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.088233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.088233 (E_RNA) where: Base-Base interactions energy: -52.573 where: short stacking energy: -40.880 Base-Backbone interact. energy: -0.593 local terms energy: -35.922463 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -1.846 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -5.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -157.650710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.650710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.650710 (E_RNA) where: Base-Base interactions energy: -96.693 where: short stacking energy: -64.057 Base-Backbone interact. energy: -0.003 local terms energy: -60.955012 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -11.123 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -14.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -164.042681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.042681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.042681 (E_RNA) where: Base-Base interactions energy: -101.711 where: short stacking energy: -57.405 Base-Backbone interact. energy: -0.057 local terms energy: -62.274484 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -10.204 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -10.580 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: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -136.521083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.521083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.521083 (E_RNA) where: Base-Base interactions energy: -79.412 where: short stacking energy: -46.918 Base-Backbone interact. energy: -0.004 local terms energy: -57.105096 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -7.979 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: 4, replica: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -153.089787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.089787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.089787 (E_RNA) where: Base-Base interactions energy: -89.498 where: short stacking energy: -54.718 Base-Backbone interact. energy: -0.022 local terms energy: -63.569723 where: bonds (distance) C4'-P energy: -9.011 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -16.723 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: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -140.541845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.541845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.541845 (E_RNA) where: Base-Base interactions energy: -86.026 where: short stacking energy: -47.482 Base-Backbone interact. energy: -0.472 local terms energy: -54.043038 where: bonds (distance) C4'-P energy: -10.389 bonds (distance) P-C4' energy: -10.587 flat angles C4'-P-C4' energy: -14.005 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -10.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -124.807618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.807618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.807618 (E_RNA) where: Base-Base interactions energy: -75.694 where: short stacking energy: -45.506 Base-Backbone interact. energy: -0.017 local terms energy: -49.097361 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -8.972 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -90.474119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.474119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.474119 (E_RNA) where: Base-Base interactions energy: -41.825 where: short stacking energy: -40.887 Base-Backbone interact. energy: -0.037 local terms energy: -48.612373 where: bonds (distance) C4'-P energy: -8.601 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -8.954 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -9.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -75.455716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.455716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.455716 (E_RNA) where: Base-Base interactions energy: -29.244 where: short stacking energy: -25.025 Base-Backbone interact. energy: -0.343 local terms energy: -45.869102 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -78.581866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.581866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.581866 (E_RNA) where: Base-Base interactions energy: -39.963 where: short stacking energy: -39.064 Base-Backbone interact. energy: -0.161 local terms energy: -38.457929 where: bonds (distance) C4'-P energy: -11.002 bonds (distance) P-C4' energy: -11.764 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -74.574607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.574607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.574607 (E_RNA) where: Base-Base interactions energy: -32.394 where: short stacking energy: -32.394 Base-Backbone interact. energy: -0.113 local terms energy: -42.067774 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -11.581 flat angles C4'-P-C4' energy: -9.437 flat angles P-C4'-P energy: -7.835 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -175.711458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.711458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.711458 (E_RNA) where: Base-Base interactions energy: -109.570 where: short stacking energy: -69.311 Base-Backbone interact. energy: -0.001 local terms energy: -66.140678 where: bonds (distance) C4'-P energy: -11.854 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -12.140 flat angles P-C4'-P energy: -8.341 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: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -148.622608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.622608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.622608 (E_RNA) where: Base-Base interactions energy: -90.040 where: short stacking energy: -54.861 Base-Backbone interact. energy: -0.127 local terms energy: -58.455441 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -15.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -146.146573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.146573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.146573 (E_RNA) where: Base-Base interactions energy: -88.981 where: short stacking energy: -59.399 Base-Backbone interact. energy: -0.497 local terms energy: -56.668448 where: bonds (distance) C4'-P energy: -11.281 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -11.374 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: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -143.779540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.779540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.779540 (E_RNA) where: Base-Base interactions energy: -85.976 where: short stacking energy: -51.278 Base-Backbone interact. energy: -0.573 local terms energy: -57.230632 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -10.192 flat angles C4'-P-C4' energy: -12.184 flat angles P-C4'-P energy: -13.091 tors. eta vs tors. theta energy: -10.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -131.739604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.739604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.739604 (E_RNA) where: Base-Base interactions energy: -76.038 where: short stacking energy: -43.089 Base-Backbone interact. energy: -0.190 local terms energy: -55.511130 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -9.204 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: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -129.105676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.105676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.105676 (E_RNA) where: Base-Base interactions energy: -72.486 where: short stacking energy: -43.693 Base-Backbone interact. energy: -0.325 local terms energy: -56.294733 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -90.271286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.271286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.271286 (E_RNA) where: Base-Base interactions energy: -35.826 where: short stacking energy: -35.826 Base-Backbone interact. energy: -0.196 local terms energy: -54.249000 where: bonds (distance) C4'-P energy: -11.154 bonds (distance) P-C4' energy: -15.432 flat angles C4'-P-C4' energy: -11.049 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -8.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -79.415654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.415654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.415654 (E_RNA) where: Base-Base interactions energy: -38.790 where: short stacking energy: -38.068 Base-Backbone interact. energy: -0.010 local terms energy: -40.616272 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -0.443 tors. eta vs tors. theta energy: -8.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -86.137271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.137271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.137271 (E_RNA) where: Base-Base interactions energy: -43.443 where: short stacking energy: -32.509 Base-Backbone interact. energy: -0.516 local terms energy: -42.177867 where: bonds (distance) C4'-P energy: -9.171 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -71.434608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.434608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.434608 (E_RNA) where: Base-Base interactions energy: -33.135 where: short stacking energy: -33.835 Base-Backbone interact. energy: -0.114 local terms energy: -38.185697 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -5.672 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: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -177.465728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.465728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.465728 (E_RNA) where: Base-Base interactions energy: -110.297 where: short stacking energy: -71.867 Base-Backbone interact. energy: -0.074 local terms energy: -67.094664 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -19.607 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -166.065310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.065310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.065310 (E_RNA) where: Base-Base interactions energy: -102.297 where: short stacking energy: -66.397 Base-Backbone interact. energy: 1.852 local terms energy: -65.620356 where: bonds (distance) C4'-P energy: -12.807 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -12.833 flat angles P-C4'-P energy: -10.002 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: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -132.372684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.372684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.372684 (E_RNA) where: Base-Base interactions energy: -73.238 where: short stacking energy: -45.605 Base-Backbone interact. energy: -0.057 local terms energy: -59.077984 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -160.862041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.862041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.862041 (E_RNA) where: Base-Base interactions energy: -98.876 where: short stacking energy: -65.179 Base-Backbone interact. energy: -0.002 local terms energy: -61.984212 where: bonds (distance) C4'-P energy: -12.298 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -7.046 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: 5, replica: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -133.400185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.400185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.400185 (E_RNA) where: Base-Base interactions energy: -83.531 where: short stacking energy: -56.584 Base-Backbone interact. energy: 0.924 local terms energy: -50.793741 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -10.994 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: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -130.769002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.769002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.769002 (E_RNA) where: Base-Base interactions energy: -76.617 where: short stacking energy: -45.730 Base-Backbone interact. energy: -0.600 local terms energy: -53.551813 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -7.840 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: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -91.917005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.917005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.917005 (E_RNA) where: Base-Base interactions energy: -39.341 where: short stacking energy: -38.669 Base-Backbone interact. energy: -0.110 local terms energy: -52.466880 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -9.920 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -9.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -82.842108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.842108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.842108 (E_RNA) where: Base-Base interactions energy: -43.765 where: short stacking energy: -28.695 Base-Backbone interact. energy: -0.039 local terms energy: -39.037629 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -89.377112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.377112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.377112 (E_RNA) where: Base-Base interactions energy: -38.667 where: short stacking energy: -38.667 Base-Backbone interact. energy: 1.482 local terms energy: -52.192461 where: bonds (distance) C4'-P energy: -9.141 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -9.566 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -67.899605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.899605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.899605 (E_RNA) where: Base-Base interactions energy: -25.808 where: short stacking energy: -18.040 Base-Backbone interact. energy: -0.044 local terms energy: -42.048170 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: 2.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -172.003198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.003198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.003198 (E_RNA) where: Base-Base interactions energy: -111.097 where: short stacking energy: -70.550 Base-Backbone interact. energy: -0.014 local terms energy: -60.891798 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -10.916 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -162.334270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.334270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.334270 (E_RNA) where: Base-Base interactions energy: -96.185 where: short stacking energy: -62.229 Base-Backbone interact. energy: -0.001 local terms energy: -66.148286 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -7.795 tors. eta vs tors. theta energy: -17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -132.510772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.510772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.510772 (E_RNA) where: Base-Base interactions energy: -79.808 where: short stacking energy: -48.685 Base-Backbone interact. energy: -0.124 local terms energy: -52.578564 where: bonds (distance) C4'-P energy: -8.103 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -12.419 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -11.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -132.739822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.739822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.739822 (E_RNA) where: Base-Base interactions energy: -76.408 where: short stacking energy: -48.843 Base-Backbone interact. energy: -0.005 local terms energy: -56.326823 where: bonds (distance) C4'-P energy: -9.147 bonds (distance) P-C4' energy: -11.878 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -11.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -146.891543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.891543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.891543 (E_RNA) where: Base-Base interactions energy: -88.872 where: short stacking energy: -55.108 Base-Backbone interact. energy: -0.041 local terms energy: -57.977911 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -14.359 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: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -128.288964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.288964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.288964 (E_RNA) where: Base-Base interactions energy: -76.410 where: short stacking energy: -52.110 Base-Backbone interact. energy: -0.614 local terms energy: -51.264486 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -10.522 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -9.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -98.071432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.071432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.071432 (E_RNA) where: Base-Base interactions energy: -54.508 where: short stacking energy: -27.373 Base-Backbone interact. energy: 0.086 local terms energy: -43.649775 where: bonds (distance) C4'-P energy: -7.225 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -78.983001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.983001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.983001 (E_RNA) where: Base-Base interactions energy: -32.556 where: short stacking energy: -30.765 Base-Backbone interact. energy: -0.034 local terms energy: -46.392909 where: bonds (distance) C4'-P energy: -10.906 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -9.801 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -70.203923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.203923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.203923 (E_RNA) where: Base-Base interactions energy: -33.015 where: short stacking energy: -34.415 Base-Backbone interact. energy: -0.116 local terms energy: -37.072812 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -75.697131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.697131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.697131 (E_RNA) where: Base-Base interactions energy: -36.331 where: short stacking energy: -35.234 Base-Backbone interact. energy: -0.016 local terms energy: -39.350616 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -10.725 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -7.501 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: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -157.717542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.717542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.717542 (E_RNA) where: Base-Base interactions energy: -97.717 where: short stacking energy: -58.040 Base-Backbone interact. energy: -0.027 local terms energy: -59.973391 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -14.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -167.226277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.226277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.226277 (E_RNA) where: Base-Base interactions energy: -99.960 where: short stacking energy: -65.917 Base-Backbone interact. energy: -0.008 local terms energy: -67.257710 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -15.195 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -138.582330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.582330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.582330 (E_RNA) where: Base-Base interactions energy: -85.650 where: short stacking energy: -48.497 Base-Backbone interact. energy: -0.005 local terms energy: -52.927639 where: bonds (distance) C4'-P energy: -10.186 bonds (distance) P-C4' energy: -11.305 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -11.341 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: 293 Temperature: 1.050000 Total energy: -153.097718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.097718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.097718 (E_RNA) where: Base-Base interactions energy: -91.335 where: short stacking energy: -59.122 Base-Backbone interact. energy: -0.484 local terms energy: -61.278668 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -4.470 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: 5, replica: 5 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -129.719904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.719904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.719904 (E_RNA) where: Base-Base interactions energy: -80.188 where: short stacking energy: -54.112 Base-Backbone interact. energy: -0.000 local terms energy: -49.532093 where: bonds (distance) C4'-P energy: -9.888 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -6.756 tors. eta vs tors. theta energy: -8.706 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: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -124.819774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.819774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.819774 (E_RNA) where: Base-Base interactions energy: -72.984 where: short stacking energy: -54.015 Base-Backbone interact. energy: -0.013 local terms energy: -51.822390 where: bonds (distance) C4'-P energy: -10.233 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -121.334441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.334441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.334441 (E_RNA) where: Base-Base interactions energy: -73.866 where: short stacking energy: -45.584 Base-Backbone interact. energy: -0.023 local terms energy: -47.446049 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -5.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -75.973970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.973970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.973970 (E_RNA) where: Base-Base interactions energy: -32.934 where: short stacking energy: -29.806 Base-Backbone interact. energy: -0.107 local terms energy: -42.932551 where: bonds (distance) C4'-P energy: -12.728 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -77.962392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.962392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.962392 (E_RNA) where: Base-Base interactions energy: -32.314 where: short stacking energy: -28.532 Base-Backbone interact. energy: 0.219 local terms energy: -45.866931 where: bonds (distance) C4'-P energy: -13.365 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -9.663 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -78.666903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.666903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.666903 (E_RNA) where: Base-Base interactions energy: -36.072 where: short stacking energy: -36.069 Base-Backbone interact. energy: -0.002 local terms energy: -42.592327 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -7.155 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -8.122 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: 1, replica: 7 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -153.645078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.645078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.645078 (E_RNA) where: Base-Base interactions energy: -88.039 where: short stacking energy: -50.982 Base-Backbone interact. energy: -1.146 local terms energy: -64.459864 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -10.886 tors. eta vs tors. theta energy: -12.359 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: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -153.417486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.417486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.417486 (E_RNA) where: Base-Base interactions energy: -91.596 where: short stacking energy: -60.656 Base-Backbone interact. energy: -0.005 local terms energy: -61.816521 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -11.766 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -13.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -150.378305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.378305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.378305 (E_RNA) where: Base-Base interactions energy: -92.388 where: short stacking energy: -54.654 Base-Backbone interact. energy: -0.001 local terms energy: -57.989049 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -11.167 flat angles P-C4'-P energy: -7.407 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: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -129.576773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.576773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.576773 (E_RNA) where: Base-Base interactions energy: -80.168 where: short stacking energy: -47.858 Base-Backbone interact. energy: -0.132 local terms energy: -49.276411 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -9.192 flat angles C4'-P-C4' energy: -11.071 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -9.423 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: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -135.372208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.372208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.372208 (E_RNA) where: Base-Base interactions energy: -78.977 where: short stacking energy: -43.290 Base-Backbone interact. energy: -0.047 local terms energy: -56.348400 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -9.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -133.123902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.123902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.123902 (E_RNA) where: Base-Base interactions energy: -78.279 where: short stacking energy: -51.048 Base-Backbone interact. energy: -0.702 local terms energy: -54.142528 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -11.139 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -8.370 tors. eta vs tors. theta energy: -10.683 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: 10 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -97.420407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.420407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.420407 (E_RNA) where: Base-Base interactions energy: -47.980 where: short stacking energy: -38.470 Base-Backbone interact. energy: -0.028 local terms energy: -49.412190 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -9.113 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -8.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -102.510286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.510286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.510286 (E_RNA) where: Base-Base interactions energy: -54.537 where: short stacking energy: -29.559 Base-Backbone interact. energy: -0.323 local terms energy: -47.650368 where: bonds (distance) C4'-P energy: -8.538 bonds (distance) P-C4' energy: -9.380 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -6.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -93.230498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.230498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.230498 (E_RNA) where: Base-Base interactions energy: -47.574 where: short stacking energy: -44.351 Base-Backbone interact. energy: -0.189 local terms energy: -45.467743 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -9.734 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -73.646678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.646678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.646678 (E_RNA) where: Base-Base interactions energy: -27.107 where: short stacking energy: -25.909 Base-Backbone interact. energy: -0.501 local terms energy: -46.038244 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -163.642624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.642624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.642624 (E_RNA) where: Base-Base interactions energy: -93.306 where: short stacking energy: -61.405 Base-Backbone interact. energy: -0.492 local terms energy: -69.844616 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -15.111 flat angles P-C4'-P energy: -12.549 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: 6 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -145.134784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.134784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.134784 (E_RNA) where: Base-Base interactions energy: -87.302 where: short stacking energy: -55.723 Base-Backbone interact. energy: -0.049 local terms energy: -57.783637 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -10.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -140.253177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.253177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.253177 (E_RNA) where: Base-Base interactions energy: -82.355 where: short stacking energy: -53.781 Base-Backbone interact. energy: -0.062 local terms energy: -57.836325 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -10.280 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -148.916836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.916836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.916836 (E_RNA) where: Base-Base interactions energy: -84.473 where: short stacking energy: -55.592 Base-Backbone interact. energy: -0.802 local terms energy: -63.642166 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -15.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -128.340338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.340338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.340338 (E_RNA) where: Base-Base interactions energy: -73.093 where: short stacking energy: -44.372 Base-Backbone interact. energy: -0.495 local terms energy: -54.751536 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -8.902 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -95.246329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.246329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.246329 (E_RNA) where: Base-Base interactions energy: -44.642 where: short stacking energy: -41.872 Base-Backbone interact. energy: -0.111 local terms energy: -50.494181 where: bonds (distance) C4'-P energy: -8.489 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -10.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -123.007060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.007060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.007060 (E_RNA) where: Base-Base interactions energy: -72.802 where: short stacking energy: -36.180 Base-Backbone interact. energy: -0.647 local terms energy: -49.558252 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -86.489815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.489815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.489815 (E_RNA) where: Base-Base interactions energy: -37.923 where: short stacking energy: -35.302 Base-Backbone interact. energy: -0.282 local terms energy: -48.284860 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -12.265 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -77.730372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.730372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.730372 (E_RNA) where: Base-Base interactions energy: -37.647 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.376 local terms energy: -39.706800 where: bonds (distance) C4'-P energy: -7.222 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -77.282951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.282951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.282951 (E_RNA) where: Base-Base interactions energy: -30.821 where: short stacking energy: -30.821 Base-Backbone interact. energy: -0.037 local terms energy: -46.424648 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -169.102015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.102015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.102015 (E_RNA) where: Base-Base interactions energy: -104.881 where: short stacking energy: -66.612 Base-Backbone interact. energy: -0.002 local terms energy: -64.218345 where: bonds (distance) C4'-P energy: -9.995 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -11.813 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: 2, replica: 6 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -141.482567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.482567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.482567 (E_RNA) where: Base-Base interactions energy: -84.447 where: short stacking energy: -49.770 Base-Backbone interact. energy: 0.454 local terms energy: -57.489109 where: bonds (distance) C4'-P energy: -10.103 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -12.924 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -12.490 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: 2 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -136.502183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.502183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.502183 (E_RNA) where: Base-Base interactions energy: -79.377 where: short stacking energy: -50.589 Base-Backbone interact. energy: -0.009 local terms energy: -57.116305 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -9.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -148.943612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.943612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.943612 (E_RNA) where: Base-Base interactions energy: -83.812 where: short stacking energy: -49.684 Base-Backbone interact. energy: -0.703 local terms energy: -64.428549 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -10.769 tors. eta vs tors. theta energy: -10.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -141.588087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.588087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.588087 (E_RNA) where: Base-Base interactions energy: -85.175 where: short stacking energy: -53.521 Base-Backbone interact. energy: -0.025 local terms energy: -56.388430 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -9.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -98.854997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.854997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.854997 (E_RNA) where: Base-Base interactions energy: -42.857 where: short stacking energy: -39.615 Base-Backbone interact. energy: -0.255 local terms energy: -55.742338 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -9.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -133.681460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.681460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.681460 (E_RNA) where: Base-Base interactions energy: -76.333 where: short stacking energy: -57.229 Base-Backbone interact. energy: -0.005 local terms energy: -57.343847 where: bonds (distance) C4'-P energy: -11.411 bonds (distance) P-C4' energy: -10.198 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -11.283 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: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -88.900530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.900530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.900530 (E_RNA) where: Base-Base interactions energy: -34.932 where: short stacking energy: -31.764 Base-Backbone interact. energy: -0.454 local terms energy: -53.514664 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -12.670 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -8.096 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: 4 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -85.040815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.040815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.040815 (E_RNA) where: Base-Base interactions energy: -35.356 where: short stacking energy: -35.356 Base-Backbone interact. energy: -0.052 local terms energy: -49.632354 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -86.848463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.848463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.848463 (E_RNA) where: Base-Base interactions energy: -38.300 where: short stacking energy: -34.169 Base-Backbone interact. energy: 0.264 local terms energy: -48.812365 where: bonds (distance) C4'-P energy: -7.453 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -10.241 flat angles P-C4'-P energy: -8.127 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: 1, replica: 7 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -156.493573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.493573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.493573 (E_RNA) where: Base-Base interactions energy: -92.257 where: short stacking energy: -58.107 Base-Backbone interact. energy: -0.023 local terms energy: -64.213437 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -12.633 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -11.758 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: 2, replica: 2 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -149.744803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.744803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.744803 (E_RNA) where: Base-Base interactions energy: -86.725 where: short stacking energy: -57.473 Base-Backbone interact. energy: -0.075 local terms energy: -62.944893 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -14.270 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -147.617225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.617225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.617225 (E_RNA) where: Base-Base interactions energy: -87.711 where: short stacking energy: -52.888 Base-Backbone interact. energy: -0.105 local terms energy: -59.801291 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -12.548 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: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -150.495415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.495415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.495415 (E_RNA) where: Base-Base interactions energy: -92.914 where: short stacking energy: -54.377 Base-Backbone interact. energy: -0.018 local terms energy: -57.563038 where: bonds (distance) C4'-P energy: -8.998 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -11.881 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -14.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -95.799457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.799457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.799457 (E_RNA) where: Base-Base interactions energy: -50.350 where: short stacking energy: -46.781 Base-Backbone interact. energy: -0.071 local terms energy: -45.377631 where: bonds (distance) C4'-P energy: -11.457 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -91.184003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.184003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.184003 (E_RNA) where: Base-Base interactions energy: -41.570 where: short stacking energy: -34.070 Base-Backbone interact. energy: -0.197 local terms energy: -49.417044 where: bonds (distance) C4'-P energy: -5.842 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -8.343 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: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -92.164340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.164340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.164340 (E_RNA) where: Base-Base interactions energy: -43.162 where: short stacking energy: -42.994 Base-Backbone interact. energy: 0.083 local terms energy: -49.084961 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -9.711 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -6.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -90.552920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.552920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.552920 (E_RNA) where: Base-Base interactions energy: -44.637 where: short stacking energy: -44.066 Base-Backbone interact. energy: -0.061 local terms energy: -45.854247 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -9.894 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: -6.984 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: 9, replica: 4 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -84.197298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.197298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.197298 (E_RNA) where: Base-Base interactions energy: -39.878 where: short stacking energy: -27.051 Base-Backbone interact. energy: -0.178 local terms energy: -44.140727 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -79.677580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.677580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.677580 (E_RNA) where: Base-Base interactions energy: -38.502 where: short stacking energy: -38.502 Base-Backbone interact. energy: -0.037 local terms energy: -41.138176 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -9.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -159.178643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.178643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.178643 (E_RNA) where: Base-Base interactions energy: -98.200 where: short stacking energy: -60.828 Base-Backbone interact. energy: -0.005 local terms energy: -60.973148 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -12.967 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -11.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -165.013657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.013657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.013657 (E_RNA) where: Base-Base interactions energy: -103.987 where: short stacking energy: -62.121 Base-Backbone interact. energy: -0.345 local terms energy: -60.681393 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -9.403 flat angles C4'-P-C4' energy: -14.365 flat angles P-C4'-P energy: -8.381 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: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -144.719088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.719088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.719088 (E_RNA) where: Base-Base interactions energy: -90.494 where: short stacking energy: -56.221 Base-Backbone interact. energy: 1.182 local terms energy: -55.407008 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -10.360 flat angles P-C4'-P energy: -5.664 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: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -134.242454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.242454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.242454 (E_RNA) where: Base-Base interactions energy: -82.866 where: short stacking energy: -46.039 Base-Backbone interact. energy: -0.659 local terms energy: -50.717348 where: bonds (distance) C4'-P energy: -10.345 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -9.912 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -12.866 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: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -93.421364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.421364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.421364 (E_RNA) where: Base-Base interactions energy: -46.656 where: short stacking energy: -42.743 Base-Backbone interact. energy: -0.057 local terms energy: -46.707903 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -10.839 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -7.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -94.749375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.749375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.749375 (E_RNA) where: Base-Base interactions energy: -44.226 where: short stacking energy: -32.639 Base-Backbone interact. energy: -0.176 local terms energy: -50.347277 where: bonds (distance) C4'-P energy: -11.185 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -7.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -88.079590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.079590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.079590 (E_RNA) where: Base-Base interactions energy: -44.846 where: short stacking energy: -41.791 Base-Backbone interact. energy: -0.689 local terms energy: -42.544137 where: bonds (distance) C4'-P energy: -7.527 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -10.488 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -87.318437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.318437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.318437 (E_RNA) where: Base-Base interactions energy: -39.426 where: short stacking energy: -22.643 Base-Backbone interact. energy: -0.110 local terms energy: -47.781871 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -76.796612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.796612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.796612 (E_RNA) where: Base-Base interactions energy: -30.710 where: short stacking energy: -29.042 Base-Backbone interact. energy: -0.104 local terms energy: -45.983070 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -76.082388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.082388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.082388 (E_RNA) where: Base-Base interactions energy: -26.220 where: short stacking energy: -23.973 Base-Backbone interact. energy: -0.273 local terms energy: -49.589792 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -12.763 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -1.875 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: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -167.165627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.165627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.165627 (E_RNA) where: Base-Base interactions energy: -98.825 where: short stacking energy: -62.220 Base-Backbone interact. energy: -0.221 local terms energy: -68.119592 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -163.848116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.848116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.848116 (E_RNA) where: Base-Base interactions energy: -102.292 where: short stacking energy: -57.276 Base-Backbone interact. energy: -0.287 local terms energy: -61.269551 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -13.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -159.180644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.180644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.180644 (E_RNA) where: Base-Base interactions energy: -94.233 where: short stacking energy: -59.481 Base-Backbone interact. energy: -0.127 local terms energy: -64.820254 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -15.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -128.894905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.894905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.894905 (E_RNA) where: Base-Base interactions energy: -73.925 where: short stacking energy: -47.611 Base-Backbone interact. energy: -0.034 local terms energy: -54.936179 where: bonds (distance) C4'-P energy: -9.935 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -6.767 tors. eta vs tors. theta energy: -12.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -102.361175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.361175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.361175 (E_RNA) where: Base-Base interactions energy: -50.837 where: short stacking energy: -50.290 Base-Backbone interact. energy: -0.059 local terms energy: -51.465234 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -11.574 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -10.610 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: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -91.423103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.423103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.423103 (E_RNA) where: Base-Base interactions energy: -45.335 where: short stacking energy: -44.872 Base-Backbone interact. energy: -0.055 local terms energy: -46.032983 where: bonds (distance) C4'-P energy: -8.298 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -5.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -80.813974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.813974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.813974 (E_RNA) where: Base-Base interactions energy: -32.785 where: short stacking energy: -31.670 Base-Backbone interact. energy: -0.015 local terms energy: -48.013329 where: bonds (distance) C4'-P energy: -8.701 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -7.649 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -91.805080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.805080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.805080 (E_RNA) where: Base-Base interactions energy: -45.009 where: short stacking energy: -40.075 Base-Backbone interact. energy: -0.102 local terms energy: -46.694094 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -81.926908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.926908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.926908 (E_RNA) where: Base-Base interactions energy: -30.586 where: short stacking energy: -30.586 Base-Backbone interact. energy: -0.146 local terms energy: -51.195470 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -13.330 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -6.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -76.392944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.392944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.392944 (E_RNA) where: Base-Base interactions energy: -28.884 where: short stacking energy: -27.987 Base-Backbone interact. energy: -0.004 local terms energy: -47.505109 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -10.952 flat angles C4'-P-C4' energy: -12.534 flat angles P-C4'-P energy: -7.680 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -168.318114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.318114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.318114 (E_RNA) where: Base-Base interactions energy: -104.490 where: short stacking energy: -65.344 Base-Backbone interact. energy: -0.004 local terms energy: -63.824531 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -2.606 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: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -177.397157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.397157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.397157 (E_RNA) where: Base-Base interactions energy: -105.703 where: short stacking energy: -65.145 Base-Backbone interact. energy: -0.003 local terms energy: -71.691516 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -16.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -162.854299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.854299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.854299 (E_RNA) where: Base-Base interactions energy: -104.892 where: short stacking energy: -66.178 Base-Backbone interact. energy: -0.090 local terms energy: -57.872402 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -7.686 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: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -141.454420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.454420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.454420 (E_RNA) where: Base-Base interactions energy: -83.164 where: short stacking energy: -52.414 Base-Backbone interact. energy: -0.035 local terms energy: -58.255796 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -13.633 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -8.015 tors. eta vs tors. theta energy: -11.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -127.251999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.251999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.251999 (E_RNA) where: Base-Base interactions energy: -69.474 where: short stacking energy: -55.067 Base-Backbone interact. energy: -1.336 local terms energy: -56.441831 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -10.482 tors. eta vs tors. theta energy: -13.888 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: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -85.220859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.220859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.220859 (E_RNA) where: Base-Base interactions energy: -35.692 where: short stacking energy: -36.992 Base-Backbone interact. energy: -0.066 local terms energy: -49.462515 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -9.624 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -9.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -84.919684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.919684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.919684 (E_RNA) where: Base-Base interactions energy: -41.985 where: short stacking energy: -40.211 Base-Backbone interact. energy: -0.092 local terms energy: -42.842188 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -11.306 flat angles C4'-P-C4' energy: -11.470 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -80.993871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.993871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.993871 (E_RNA) where: Base-Base interactions energy: -37.154 where: short stacking energy: -34.530 Base-Backbone interact. energy: -0.004 local terms energy: -43.835616 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -9.543 tors. eta vs tors. theta energy: -7.220 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: 4 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -80.137640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.137640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.137640 (E_RNA) where: Base-Base interactions energy: -29.897 where: short stacking energy: -27.098 Base-Backbone interact. energy: 0.016 local terms energy: -50.256941 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -73.269230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.269230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.269230 (E_RNA) where: Base-Base interactions energy: -33.325 where: short stacking energy: -33.325 Base-Backbone interact. energy: -0.368 local terms energy: -39.576231 where: bonds (distance) C4'-P energy: -10.890 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -170.463745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.463745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.463745 (E_RNA) where: Base-Base interactions energy: -102.986 where: short stacking energy: -68.429 Base-Backbone interact. energy: -0.323 local terms energy: -67.155334 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -16.787 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: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -160.056009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.056009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.056009 (E_RNA) where: Base-Base interactions energy: -98.356 where: short stacking energy: -60.625 Base-Backbone interact. energy: -0.160 local terms energy: -61.540561 where: bonds (distance) C4'-P energy: -14.115 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -12.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -147.068365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.068365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.068365 (E_RNA) where: Base-Base interactions energy: -80.878 where: short stacking energy: -49.731 Base-Backbone interact. energy: -0.001 local terms energy: -66.189419 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -16.958 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -11.712 tors. eta vs tors. theta energy: -14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -132.687270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.687270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.687270 (E_RNA) where: Base-Base interactions energy: -81.229 where: short stacking energy: -48.709 Base-Backbone interact. energy: -0.091 local terms energy: -51.367363 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -13.034 flat angles P-C4'-P energy: -5.752 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: 5, replica: 6 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -144.077837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.077837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.077837 (E_RNA) where: Base-Base interactions energy: -90.227 where: short stacking energy: -57.990 Base-Backbone interact. energy: 0.184 local terms energy: -54.035052 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -7.083 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -13.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -95.598558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.598558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.598558 (E_RNA) where: Base-Base interactions energy: -45.339 where: short stacking energy: -41.308 Base-Backbone interact. energy: -0.005 local terms energy: -50.254836 where: bonds (distance) C4'-P energy: -10.753 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -10.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -97.315952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.315952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.315952 (E_RNA) where: Base-Base interactions energy: -39.902 where: short stacking energy: -26.926 Base-Backbone interact. energy: -0.534 local terms energy: -56.879760 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -5.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -87.264144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.264144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.264144 (E_RNA) where: Base-Base interactions energy: -39.359 where: short stacking energy: -28.772 Base-Backbone interact. energy: -0.113 local terms energy: -47.792918 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -15.421 flat angles C4'-P-C4' energy: -10.238 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -79.007993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.007993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.007993 (E_RNA) where: Base-Base interactions energy: -29.017 where: short stacking energy: -29.017 Base-Backbone interact. energy: -0.275 local terms energy: -49.716240 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -88.395251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.395251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.395251 (E_RNA) where: Base-Base interactions energy: -43.826 where: short stacking energy: -32.768 Base-Backbone interact. energy: -0.399 local terms energy: -44.170988 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -9.837 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -159.790892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.790892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.790892 (E_RNA) where: Base-Base interactions energy: -95.208 where: short stacking energy: -62.917 Base-Backbone interact. energy: -0.043 local terms energy: -64.540481 where: bonds (distance) C4'-P energy: -10.702 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -145.176527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.176527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.176527 (E_RNA) where: Base-Base interactions energy: -89.864 where: short stacking energy: -50.849 Base-Backbone interact. energy: -0.004 local terms energy: -55.308372 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -7.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -139.407142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.407142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.407142 (E_RNA) where: Base-Base interactions energy: -88.281 where: short stacking energy: -55.501 Base-Backbone interact. energy: -0.001 local terms energy: -51.125022 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -8.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -95.295544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.295544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.295544 (E_RNA) where: Base-Base interactions energy: -43.036 where: short stacking energy: -43.036 Base-Backbone interact. energy: -0.771 local terms energy: -51.488653 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -137.348848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.348848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.348848 (E_RNA) where: Base-Base interactions energy: -86.497 where: short stacking energy: -46.604 Base-Backbone interact. energy: -0.099 local terms energy: -50.753259 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -10.881 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -9.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -106.868733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.868733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.868733 (E_RNA) where: Base-Base interactions energy: -53.989 where: short stacking energy: -53.989 Base-Backbone interact. energy: -0.127 local terms energy: -52.752701 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -11.789 flat angles P-C4'-P energy: -7.094 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -107.950949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.950949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.950949 (E_RNA) where: Base-Base interactions energy: -53.940 where: short stacking energy: -41.318 Base-Backbone interact. energy: -0.005 local terms energy: -54.006217 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -8.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -73.517045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.517045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.517045 (E_RNA) where: Base-Base interactions energy: -28.293 where: short stacking energy: -28.293 Base-Backbone interact. energy: -0.195 local terms energy: -45.029642 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -5.251 tors. eta vs tors. theta energy: -6.664 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: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -71.956331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.956331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.956331 (E_RNA) where: Base-Base interactions energy: -31.007 where: short stacking energy: -31.007 Base-Backbone interact. energy: -0.076 local terms energy: -40.873251 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -10.819 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -76.636570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.636570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.636570 (E_RNA) where: Base-Base interactions energy: -32.485 where: short stacking energy: -32.485 Base-Backbone interact. energy: -0.009 local terms energy: -44.142705 where: bonds (distance) C4'-P energy: -10.786 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -9.905 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -161.077443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.077443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.077443 (E_RNA) where: Base-Base interactions energy: -93.678 where: short stacking energy: -66.167 Base-Backbone interact. energy: -0.061 local terms energy: -67.338423 where: bonds (distance) C4'-P energy: -14.748 bonds (distance) P-C4' energy: -12.340 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -15.572 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: 9 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -148.116348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.116348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.116348 (E_RNA) where: Base-Base interactions energy: -86.949 where: short stacking energy: -54.645 Base-Backbone interact. energy: -0.039 local terms energy: -61.127984 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -12.728 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -11.697 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: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -130.613712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.613712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.613712 (E_RNA) where: Base-Base interactions energy: -71.480 where: short stacking energy: -46.214 Base-Backbone interact. energy: -0.243 local terms energy: -58.891152 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -9.502 tors. eta vs tors. theta energy: -8.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -132.373430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.373430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.373430 (E_RNA) where: Base-Base interactions energy: -80.727 where: short stacking energy: -53.002 Base-Backbone interact. energy: 0.453 local terms energy: -52.099638 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: -11.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -100.724138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.724138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.724138 (E_RNA) where: Base-Base interactions energy: -48.180 where: short stacking energy: -45.705 Base-Backbone interact. energy: -0.015 local terms energy: -52.528849 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -8.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -99.214329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.214329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.214329 (E_RNA) where: Base-Base interactions energy: -52.010 where: short stacking energy: -40.890 Base-Backbone interact. energy: -0.039 local terms energy: -47.164503 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -9.367 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -7.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -78.095999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.095999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.095999 (E_RNA) where: Base-Base interactions energy: -31.677 where: short stacking energy: -30.224 Base-Backbone interact. energy: 0.243 local terms energy: -46.662584 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -13.363 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -6.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -82.010528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.010528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.010528 (E_RNA) where: Base-Base interactions energy: -38.163 where: short stacking energy: -35.410 Base-Backbone interact. energy: -0.160 local terms energy: -43.687870 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -85.432505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.432505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.432505 (E_RNA) where: Base-Base interactions energy: -39.365 where: short stacking energy: -38.057 Base-Backbone interact. energy: -0.273 local terms energy: -45.794290 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -8.241 flat angles C4'-P-C4' energy: -9.684 flat angles P-C4'-P energy: -6.477 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: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -106.820422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.820422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.820422 (E_RNA) where: Base-Base interactions energy: -61.760 where: short stacking energy: -35.231 Base-Backbone interact. energy: 0.275 local terms energy: -45.335102 where: bonds (distance) C4'-P energy: -9.469 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -9.524 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -6.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -161.245640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.245640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.245640 (E_RNA) where: Base-Base interactions energy: -96.473 where: short stacking energy: -61.320 Base-Backbone interact. energy: -0.001 local terms energy: -64.771413 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -11.168 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -162.165992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.165992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.165992 (E_RNA) where: Base-Base interactions energy: -95.116 where: short stacking energy: -62.730 Base-Backbone interact. energy: -0.515 local terms energy: -66.534482 where: bonds (distance) C4'-P energy: -13.072 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -17.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -142.069041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.069041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.069041 (E_RNA) where: Base-Base interactions energy: -84.167 where: short stacking energy: -54.234 Base-Backbone interact. energy: -0.020 local terms energy: -57.882394 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -10.718 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: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -133.510935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.510935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.510935 (E_RNA) where: Base-Base interactions energy: -78.898 where: short stacking energy: -50.983 Base-Backbone interact. energy: -0.123 local terms energy: -54.489677 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -13.139 flat angles C4'-P-C4' energy: -10.735 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -10.807 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: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -106.592935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.592935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.592935 (E_RNA) where: Base-Base interactions energy: -51.757 where: short stacking energy: -45.372 Base-Backbone interact. energy: -1.183 local terms energy: -53.653110 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -9.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -93.884397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.884397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.884397 (E_RNA) where: Base-Base interactions energy: -49.004 where: short stacking energy: -44.198 Base-Backbone interact. energy: -0.212 local terms energy: -44.668297 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.664 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -95.224692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.224692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.224692 (E_RNA) where: Base-Base interactions energy: -42.586 where: short stacking energy: -42.586 Base-Backbone interact. energy: -0.113 local terms energy: -52.525977 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -7.984 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -10.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -87.610850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.610850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.610850 (E_RNA) where: Base-Base interactions energy: -40.615 where: short stacking energy: -38.588 Base-Backbone interact. energy: -0.083 local terms energy: -46.912833 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -11.008 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -79.104160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.104160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.104160 (E_RNA) where: Base-Base interactions energy: -35.059 where: short stacking energy: -32.854 Base-Backbone interact. energy: 0.167 local terms energy: -44.212482 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -78.444133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.444133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.444133 (E_RNA) where: Base-Base interactions energy: -32.746 where: short stacking energy: -22.498 Base-Backbone interact. energy: -0.054 local terms energy: -45.644003 where: bonds (distance) C4'-P energy: -11.465 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -10.217 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: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -160.939855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.939855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.939855 (E_RNA) where: Base-Base interactions energy: -99.964 where: short stacking energy: -66.231 Base-Backbone interact. energy: -0.182 local terms energy: -60.794012 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -10.470 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -16.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -143.606396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.606396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.606396 (E_RNA) where: Base-Base interactions energy: -81.207 where: short stacking energy: -50.665 Base-Backbone interact. energy: -0.090 local terms energy: -62.309587 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -14.406 flat angles C4'-P-C4' energy: -14.329 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -11.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -145.515483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.515483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.515483 (E_RNA) where: Base-Base interactions energy: -84.244 where: short stacking energy: -56.738 Base-Backbone interact. energy: -0.011 local terms energy: -61.261152 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -9.679 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -10.016 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: 4, replica: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -144.563388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.563388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.563388 (E_RNA) where: Base-Base interactions energy: -80.793 where: short stacking energy: -58.375 Base-Backbone interact. energy: -0.009 local terms energy: -63.761165 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -13.543 flat angles P-C4'-P energy: -5.387 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: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -106.605505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.605505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.605505 (E_RNA) where: Base-Base interactions energy: -53.168 where: short stacking energy: -50.352 Base-Backbone interact. energy: -0.127 local terms energy: -53.311124 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -10.873 flat angles P-C4'-P energy: -8.061 tors. eta vs tors. theta energy: -9.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -85.962518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.962518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.962518 (E_RNA) where: Base-Base interactions energy: -42.692 where: short stacking energy: -31.332 Base-Backbone interact. energy: -0.409 local terms energy: -42.860753 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -1.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -89.440286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.440286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.440286 (E_RNA) where: Base-Base interactions energy: -35.260 where: short stacking energy: -35.260 Base-Backbone interact. energy: -0.362 local terms energy: -53.818292 where: bonds (distance) C4'-P energy: -13.585 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -82.163672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.163672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.163672 (E_RNA) where: Base-Base interactions energy: -35.994 where: short stacking energy: -18.739 Base-Backbone interact. energy: -1.089 local terms energy: -45.080973 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -11.508 flat angles P-C4'-P energy: -8.599 tors. eta vs tors. theta energy: 3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -76.962763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.962763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.962763 (E_RNA) where: Base-Base interactions energy: -35.113 where: short stacking energy: -35.113 Base-Backbone interact. energy: -0.689 local terms energy: -41.160216 where: bonds (distance) C4'-P energy: -10.791 bonds (distance) P-C4' energy: -9.107 flat angles C4'-P-C4' energy: -13.635 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -5.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -73.618819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.618819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.618819 (E_RNA) where: Base-Base interactions energy: -34.365 where: short stacking energy: -34.365 Base-Backbone interact. energy: 0.531 local terms energy: -39.785716 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -7.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -158.351441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.351441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.351441 (E_RNA) where: Base-Base interactions energy: -98.456 where: short stacking energy: -66.614 Base-Backbone interact. energy: -0.062 local terms energy: -59.833701 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -8.595 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: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -156.902154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.902154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.902154 (E_RNA) where: Base-Base interactions energy: -93.243 where: short stacking energy: -59.296 Base-Backbone interact. energy: -0.106 local terms energy: -63.552942 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -13.872 flat angles P-C4'-P energy: -9.201 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: 3, replica: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -136.944403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.944403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.944403 (E_RNA) where: Base-Base interactions energy: -78.614 where: short stacking energy: -52.038 Base-Backbone interact. energy: -0.303 local terms energy: -58.026708 where: bonds (distance) C4'-P energy: -12.206 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -11.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -138.323816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.323816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.323816 (E_RNA) where: Base-Base interactions energy: -78.165 where: short stacking energy: -50.767 Base-Backbone interact. energy: -0.001 local terms energy: -60.158131 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -13.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -111.448451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.448451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.448451 (E_RNA) where: Base-Base interactions energy: -59.413 where: short stacking energy: -42.599 Base-Backbone interact. energy: -0.095 local terms energy: -51.940196 where: bonds (distance) C4'-P energy: -9.184 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -8.047 tors. eta vs tors. theta energy: -8.221 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: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -87.903374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.903374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.903374 (E_RNA) where: Base-Base interactions energy: -35.576 where: short stacking energy: -32.553 Base-Backbone interact. energy: -1.211 local terms energy: -51.116045 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -93.232380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.232380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.232380 (E_RNA) where: Base-Base interactions energy: -45.756 where: short stacking energy: -41.387 Base-Backbone interact. energy: -0.010 local terms energy: -47.467130 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -7.818 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -9.994 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: 306 Temperature: 1.250000 Total energy: -87.886032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.886032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.886032 (E_RNA) where: Base-Base interactions energy: -41.995 where: short stacking energy: -35.145 Base-Backbone interact. energy: -0.088 local terms energy: -45.803143 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -8.296 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -6.615 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: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -88.459839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.459839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.459839 (E_RNA) where: Base-Base interactions energy: -39.955 where: short stacking energy: -37.819 Base-Backbone interact. energy: -0.014 local terms energy: -48.491301 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -9.602 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -8.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -79.601387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.601387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.601387 (E_RNA) where: Base-Base interactions energy: -37.979 where: short stacking energy: -37.152 Base-Backbone interact. energy: -0.119 local terms energy: -41.502896 where: bonds (distance) C4'-P energy: -7.557 bonds (distance) P-C4' energy: -9.149 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -8.639 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: 1, replica: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -151.538381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.538381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.538381 (E_RNA) where: Base-Base interactions energy: -88.179 where: short stacking energy: -54.026 Base-Backbone interact. energy: -0.287 local terms energy: -63.072534 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -13.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -160.813804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.813804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.813804 (E_RNA) where: Base-Base interactions energy: -93.842 where: short stacking energy: -56.119 Base-Backbone interact. energy: -0.041 local terms energy: -66.930887 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -14.774 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -17.407 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: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -145.648781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.648781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.648781 (E_RNA) where: Base-Base interactions energy: -86.185 where: short stacking energy: -52.455 Base-Backbone interact. energy: 0.762 local terms energy: -60.226516 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -12.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -149.821460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.821460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.821460 (E_RNA) where: Base-Base interactions energy: -92.144 where: short stacking energy: -55.873 Base-Backbone interact. energy: -0.010 local terms energy: -57.667515 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -12.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -100.759826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.759826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.759826 (E_RNA) where: Base-Base interactions energy: -64.284 where: short stacking energy: -46.591 Base-Backbone interact. energy: -0.278 local terms energy: -36.197374 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -9.160 flat angles P-C4'-P energy: 0.649 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -88.770270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.770270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.770270 (E_RNA) where: Base-Base interactions energy: -35.691 where: short stacking energy: -35.653 Base-Backbone interact. energy: 0.977 local terms energy: -54.056301 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -13.276 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -4.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -100.650658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.650658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.650658 (E_RNA) where: Base-Base interactions energy: -51.055 where: short stacking energy: -50.900 Base-Backbone interact. energy: -0.012 local terms energy: -49.582967 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -11.094 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: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -80.612509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.612509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.612509 (E_RNA) where: Base-Base interactions energy: -29.065 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.123 local terms energy: -51.424513 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -81.095035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.095035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.095035 (E_RNA) where: Base-Base interactions energy: -34.154 where: short stacking energy: -34.154 Base-Backbone interact. energy: -0.094 local terms energy: -46.847207 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -2.349 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -70.249989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.249989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.249989 (E_RNA) where: Base-Base interactions energy: -29.327 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.126 local terms energy: -40.796360 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -177.691657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.691657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.691657 (E_RNA) where: Base-Base interactions energy: -110.117 where: short stacking energy: -69.819 Base-Backbone interact. energy: -0.615 local terms energy: -66.959700 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -15.467 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -16.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -150.570532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.570532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.570532 (E_RNA) where: Base-Base interactions energy: -91.095 where: short stacking energy: -64.197 Base-Backbone interact. energy: -0.097 local terms energy: -59.378172 where: bonds (distance) C4'-P energy: -11.013 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -13.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -160.607454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.607454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.607454 (E_RNA) where: Base-Base interactions energy: -103.589 where: short stacking energy: -65.816 Base-Backbone interact. energy: 1.075 local terms energy: -58.093734 where: bonds (distance) C4'-P energy: -9.842 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -11.214 flat angles P-C4'-P energy: -8.002 tors. eta vs tors. theta energy: -16.915 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: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -149.314220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.314220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.314220 (E_RNA) where: Base-Base interactions energy: -89.096 where: short stacking energy: -50.498 Base-Backbone interact. energy: -0.096 local terms energy: -60.122454 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -14.530 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -11.932 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: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -96.777530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.777530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.777530 (E_RNA) where: Base-Base interactions energy: -42.067 where: short stacking energy: -42.067 Base-Backbone interact. energy: -0.116 local terms energy: -54.594899 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -15.337 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -8.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -107.906356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.906356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.906356 (E_RNA) where: Base-Base interactions energy: -53.830 where: short stacking energy: -38.426 Base-Backbone interact. energy: -1.137 local terms energy: -52.938645 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -9.531 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -8.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -85.315008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.315008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.315008 (E_RNA) where: Base-Base interactions energy: -34.289 where: short stacking energy: -28.464 Base-Backbone interact. energy: -0.819 local terms energy: -50.206677 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -9.675 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -91.246989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.246989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.246989 (E_RNA) where: Base-Base interactions energy: -37.913 where: short stacking energy: -34.574 Base-Backbone interact. energy: -0.548 local terms energy: -52.786526 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -10.149 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -7.266 tors. eta vs tors. theta energy: -6.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -74.516664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.516664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.516664 (E_RNA) where: Base-Base interactions energy: -30.554 where: short stacking energy: -30.554 Base-Backbone interact. energy: -0.171 local terms energy: -43.791127 where: bonds (distance) C4'-P energy: -13.159 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -7.024 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: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -74.721480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.721480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.721480 (E_RNA) where: Base-Base interactions energy: -29.609 where: short stacking energy: -24.805 Base-Backbone interact. energy: -0.270 local terms energy: -44.842051 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -16.297 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.240 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: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -167.434499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.434499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.434499 (E_RNA) where: Base-Base interactions energy: -100.064 where: short stacking energy: -63.024 Base-Backbone interact. energy: -0.014 local terms energy: -67.356788 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -11.394 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: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -157.821840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.821840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.821840 (E_RNA) where: Base-Base interactions energy: -94.652 where: short stacking energy: -56.774 Base-Backbone interact. energy: -0.385 local terms energy: -62.784730 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -8.625 tors. eta vs tors. theta energy: -14.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -137.069097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.069097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.069097 (E_RNA) where: Base-Base interactions energy: -84.366 where: short stacking energy: -50.425 Base-Backbone interact. energy: -0.019 local terms energy: -52.683442 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -9.396 flat angles P-C4'-P energy: -9.182 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: 4, replica: 9 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -144.424624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.424624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.424624 (E_RNA) where: Base-Base interactions energy: -84.374 where: short stacking energy: -46.018 Base-Backbone interact. energy: -0.822 local terms energy: -59.228854 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -12.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -103.026818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.026818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.026818 (E_RNA) where: Base-Base interactions energy: -51.630 where: short stacking energy: -38.826 Base-Backbone interact. energy: -0.129 local terms energy: -51.267890 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -8.137 tors. eta vs tors. theta energy: -5.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -94.376771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.376771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.376771 (E_RNA) where: Base-Base interactions energy: -41.960 where: short stacking energy: -41.960 Base-Backbone interact. energy: -0.091 local terms energy: -52.325923 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -10.299 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -7.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -80.312149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.312149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.312149 (E_RNA) where: Base-Base interactions energy: -39.173 where: short stacking energy: -25.223 Base-Backbone interact. energy: -0.073 local terms energy: -41.065565 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: 0.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -96.003469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.003469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.003469 (E_RNA) where: Base-Base interactions energy: -44.951 where: short stacking energy: -45.249 Base-Backbone interact. energy: -0.000 local terms energy: -51.051796 where: bonds (distance) C4'-P energy: -7.698 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -5.433 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: 9, replica: 5 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -74.453640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.453640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.453640 (E_RNA) where: Base-Base interactions energy: -35.483 where: short stacking energy: -17.799 Base-Backbone interact. energy: -0.797 local terms energy: -38.173182 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -10.822 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: 0.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -71.154000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.154000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.154000 (E_RNA) where: Base-Base interactions energy: -32.029 where: short stacking energy: -26.592 Base-Backbone interact. energy: 0.619 local terms energy: -39.744694 where: bonds (distance) C4'-P energy: -11.461 bonds (distance) P-C4' energy: -9.442 flat angles C4'-P-C4' energy: -11.392 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: 1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -157.978287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.978287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.978287 (E_RNA) where: Base-Base interactions energy: -92.545 where: short stacking energy: -53.431 Base-Backbone interact. energy: -0.030 local terms energy: -65.403099 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -11.746 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: 6 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -161.603424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.603424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.603424 (E_RNA) where: Base-Base interactions energy: -97.137 where: short stacking energy: -65.163 Base-Backbone interact. energy: -0.001 local terms energy: -64.465738 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -15.491 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -13.856 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -161.515132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.515132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.515132 (E_RNA) where: Base-Base interactions energy: -96.872 where: short stacking energy: -62.366 Base-Backbone interact. energy: 0.137 local terms energy: -64.780379 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -11.958 flat angles C4'-P-C4' energy: -11.182 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -17.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -155.139076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.139076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.139076 (E_RNA) where: Base-Base interactions energy: -98.726 where: short stacking energy: -51.526 Base-Backbone interact. energy: -0.011 local terms energy: -56.401944 where: bonds (distance) C4'-P energy: -11.323 bonds (distance) P-C4' energy: -10.689 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -8.431 tors. eta vs tors. theta energy: -12.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -108.621032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.621032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.621032 (E_RNA) where: Base-Base interactions energy: -58.863 where: short stacking energy: -45.854 Base-Backbone interact. energy: -0.070 local terms energy: -49.687991 where: bonds (distance) C4'-P energy: -6.431 bonds (distance) P-C4' energy: -8.773 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -14.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -121.488094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.488094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.488094 (E_RNA) where: Base-Base interactions energy: -63.309 where: short stacking energy: -48.277 Base-Backbone interact. energy: 0.119 local terms energy: -58.298756 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -12.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -89.155083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.155083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.155083 (E_RNA) where: Base-Base interactions energy: -46.432 where: short stacking energy: -38.297 Base-Backbone interact. energy: -0.017 local terms energy: -42.705541 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -10.328 flat angles P-C4'-P energy: -7.689 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: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -83.758141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.758141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.758141 (E_RNA) where: Base-Base interactions energy: -37.008 where: short stacking energy: -37.008 Base-Backbone interact. energy: 0.500 local terms energy: -47.249944 where: bonds (distance) C4'-P energy: -11.645 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -3.708 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: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -82.504661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.504661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.504661 (E_RNA) where: Base-Base interactions energy: -42.375 where: short stacking energy: -30.059 Base-Backbone interact. energy: -0.381 local terms energy: -39.748014 where: bonds (distance) C4'-P energy: -14.185 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: 0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -79.278624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.278624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.278624 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: 0.130 local terms energy: -52.358227 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -8.725 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -160.166916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.166916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.166916 (E_RNA) where: Base-Base interactions energy: -95.269 where: short stacking energy: -56.335 Base-Backbone interact. energy: -0.025 local terms energy: -64.872887 where: bonds (distance) C4'-P energy: -12.773 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -11.149 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: 2, replica: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -155.576243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.576243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.576243 (E_RNA) where: Base-Base interactions energy: -100.633 where: short stacking energy: -60.122 Base-Backbone interact. energy: 0.633 local terms energy: -55.576274 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -16.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -139.530758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.530758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.530758 (E_RNA) where: Base-Base interactions energy: -79.160 where: short stacking energy: -45.739 Base-Backbone interact. energy: -0.088 local terms energy: -60.282870 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -10.174 tors. eta vs tors. theta energy: -10.481 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: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -128.942317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.942317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.942317 (E_RNA) where: Base-Base interactions energy: -78.134 where: short stacking energy: -48.381 Base-Backbone interact. energy: -0.001 local terms energy: -50.807933 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -8.818 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -8.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -100.808568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.808568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.808568 (E_RNA) where: Base-Base interactions energy: -43.167 where: short stacking energy: -43.167 Base-Backbone interact. energy: -0.004 local terms energy: -57.638401 where: bonds (distance) C4'-P energy: -11.382 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -13.716 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: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -88.798513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.798513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.798513 (E_RNA) where: Base-Base interactions energy: -38.754 where: short stacking energy: -38.754 Base-Backbone interact. energy: -0.129 local terms energy: -49.914844 where: bonds (distance) C4'-P energy: -14.599 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -5.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -91.057589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.057589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.057589 (E_RNA) where: Base-Base interactions energy: -43.688 where: short stacking energy: -30.939 Base-Backbone interact. energy: -0.496 local terms energy: -46.873061 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -14.277 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -87.366154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.366154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.366154 (E_RNA) where: Base-Base interactions energy: -33.880 where: short stacking energy: -33.880 Base-Backbone interact. energy: -0.005 local terms energy: -53.480589 where: bonds (distance) C4'-P energy: -11.113 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -7.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -73.965291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.965291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.965291 (E_RNA) where: Base-Base interactions energy: -32.076 where: short stacking energy: -26.279 Base-Backbone interact. energy: 0.430 local terms energy: -42.319733 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -9.336 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -65.412056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.412056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.412056 (E_RNA) where: Base-Base interactions energy: -26.059 where: short stacking energy: -26.059 Base-Backbone interact. energy: -0.069 local terms energy: -39.284135 where: bonds (distance) C4'-P energy: -13.204 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -10.037 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: 0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -155.965185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.965185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.965185 (E_RNA) where: Base-Base interactions energy: -92.530 where: short stacking energy: -61.970 Base-Backbone interact. energy: -0.011 local terms energy: -63.424194 where: bonds (distance) C4'-P energy: -12.566 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -7.309 tors. eta vs tors. theta energy: -15.629 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: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -153.951069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.951069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.951069 (E_RNA) where: Base-Base interactions energy: -97.432 where: short stacking energy: -63.163 Base-Backbone interact. energy: -0.005 local terms energy: -56.514034 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -12.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -150.101140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.101140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.101140 (E_RNA) where: Base-Base interactions energy: -94.758 where: short stacking energy: -61.437 Base-Backbone interact. energy: -0.183 local terms energy: -55.160653 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -6.512 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: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -129.015366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.015366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.015366 (E_RNA) where: Base-Base interactions energy: -74.424 where: short stacking energy: -49.179 Base-Backbone interact. energy: -0.578 local terms energy: -54.013149 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -10.931 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -10.717 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: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -108.463510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.463510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.463510 (E_RNA) where: Base-Base interactions energy: -53.443 where: short stacking energy: -53.443 Base-Backbone interact. energy: -0.047 local terms energy: -54.973866 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -10.231 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -5.544 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: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -121.954551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.954551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.954551 (E_RNA) where: Base-Base interactions energy: -76.228 where: short stacking energy: -43.825 Base-Backbone interact. energy: -0.071 local terms energy: -45.655354 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -12.813 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -90.963755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.963755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.963755 (E_RNA) where: Base-Base interactions energy: -40.776 where: short stacking energy: -40.776 Base-Backbone interact. energy: -0.025 local terms energy: -50.162981 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -5.475 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -81.081915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.081915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.081915 (E_RNA) where: Base-Base interactions energy: -40.383 where: short stacking energy: -31.083 Base-Backbone interact. energy: -0.360 local terms energy: -40.338936 where: bonds (distance) C4'-P energy: -7.558 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: 0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -76.142349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.142349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.142349 (E_RNA) where: Base-Base interactions energy: -34.945 where: short stacking energy: -34.279 Base-Backbone interact. energy: -0.090 local terms energy: -41.107304 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -1.679 tors. eta vs tors. theta energy: -3.036 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: 312 Temperature: 1.350000 Total energy: -80.080781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.080781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.080781 (E_RNA) where: Base-Base interactions energy: -39.417 where: short stacking energy: -37.943 Base-Backbone interact. energy: -0.276 local terms energy: -40.387513 where: bonds (distance) C4'-P energy: -11.995 bonds (distance) P-C4' energy: -9.922 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -2.259 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -160.059706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.059706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.059706 (E_RNA) where: Base-Base interactions energy: -95.796 where: short stacking energy: -62.380 Base-Backbone interact. energy: -0.012 local terms energy: -64.252252 where: bonds (distance) C4'-P energy: -14.297 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -7.183 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: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -157.738493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.738493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.738493 (E_RNA) where: Base-Base interactions energy: -96.955 where: short stacking energy: -61.157 Base-Backbone interact. energy: -0.001 local terms energy: -60.782737 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -11.533 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: -12.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -133.870120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.870120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.870120 (E_RNA) where: Base-Base interactions energy: -80.729 where: short stacking energy: -45.697 Base-Backbone interact. energy: -0.031 local terms energy: -53.109706 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -10.524 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -7.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -140.125986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.125986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.125986 (E_RNA) where: Base-Base interactions energy: -84.275 where: short stacking energy: -57.258 Base-Backbone interact. energy: -0.161 local terms energy: -55.689471 where: bonds (distance) C4'-P energy: -9.188 bonds (distance) P-C4' energy: -12.661 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -13.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -116.675894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.675894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.675894 (E_RNA) where: Base-Base interactions energy: -61.064 where: short stacking energy: -54.512 Base-Backbone interact. energy: -0.002 local terms energy: -55.610123 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -7.670 flat angles C4'-P-C4' energy: -12.418 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -15.634 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: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -123.580517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.580517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.580517 (E_RNA) where: Base-Base interactions energy: -66.973 where: short stacking energy: -45.951 Base-Backbone interact. energy: -0.005 local terms energy: -56.602121 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -12.455 flat angles P-C4'-P energy: -10.042 tors. eta vs tors. theta energy: -8.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -79.118574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.118574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.118574 (E_RNA) where: Base-Base interactions energy: -40.395 where: short stacking energy: -27.616 Base-Backbone interact. energy: 1.800 local terms energy: -40.523278 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -13.971 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -79.279400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.279400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.279400 (E_RNA) where: Base-Base interactions energy: -30.272 where: short stacking energy: -30.272 Base-Backbone interact. energy: -0.074 local terms energy: -48.933572 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -10.050 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -83.414110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.414110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.414110 (E_RNA) where: Base-Base interactions energy: -38.103 where: short stacking energy: -22.353 Base-Backbone interact. energy: -0.019 local terms energy: -45.291360 where: bonds (distance) C4'-P energy: -7.205 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -72.532375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.532375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.532375 (E_RNA) where: Base-Base interactions energy: -26.342 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.393 local terms energy: -45.797755 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -159.811586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.811586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.811586 (E_RNA) where: Base-Base interactions energy: -102.777 where: short stacking energy: -66.311 Base-Backbone interact. energy: 2.629 local terms energy: -59.663250 where: bonds (distance) C4'-P energy: -10.587 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -12.149 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: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -158.692203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.692203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.692203 (E_RNA) where: Base-Base interactions energy: -93.349 where: short stacking energy: -53.546 Base-Backbone interact. energy: -0.088 local terms energy: -65.254703 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -140.284317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.284317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.284317 (E_RNA) where: Base-Base interactions energy: -79.162 where: short stacking energy: -50.514 Base-Backbone interact. energy: 0.397 local terms energy: -61.520002 where: bonds (distance) C4'-P energy: -13.862 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -11.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -140.219231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.219231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.219231 (E_RNA) where: Base-Base interactions energy: -91.603 where: short stacking energy: -52.457 Base-Backbone interact. energy: -0.244 local terms energy: -48.371754 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -10.604 flat angles C4'-P-C4' energy: -10.291 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -10.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -124.225280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.225280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.225280 (E_RNA) where: Base-Base interactions energy: -80.568 where: short stacking energy: -50.859 Base-Backbone interact. energy: 1.267 local terms energy: -44.924138 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -11.771 flat angles C4'-P-C4' energy: -9.056 flat angles P-C4'-P energy: -8.432 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: 6, replica: 3 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -96.209512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.209512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.209512 (E_RNA) where: Base-Base interactions energy: -49.023 where: short stacking energy: -46.559 Base-Backbone interact. energy: 0.322 local terms energy: -47.508563 where: bonds (distance) C4'-P energy: -11.992 bonds (distance) P-C4' energy: -10.750 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -90.149257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.149257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.149257 (E_RNA) where: Base-Base interactions energy: -35.457 where: short stacking energy: -32.723 Base-Backbone interact. energy: -0.071 local terms energy: -54.621418 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -6.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -85.323690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.323690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.323690 (E_RNA) where: Base-Base interactions energy: -40.452 where: short stacking energy: -40.452 Base-Backbone interact. energy: -0.202 local terms energy: -44.669464 where: bonds (distance) C4'-P energy: -11.043 bonds (distance) P-C4' energy: -9.385 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -9.436 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: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -71.344888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.344888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.344888 (E_RNA) where: Base-Base interactions energy: -37.106 where: short stacking energy: -35.432 Base-Backbone interact. energy: -0.084 local terms energy: -34.154529 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -9.356 flat angles C4'-P-C4' energy: -12.468 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -2.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -67.956801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.956801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.956801 (E_RNA) where: Base-Base interactions energy: -30.660 where: short stacking energy: -23.953 Base-Backbone interact. energy: 0.775 local terms energy: -38.072373 where: bonds (distance) C4'-P energy: -7.777 bonds (distance) P-C4' energy: -7.933 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -4.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -173.176216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.176216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.176216 (E_RNA) where: Base-Base interactions energy: -105.381 where: short stacking energy: -67.580 Base-Backbone interact. energy: -0.001 local terms energy: -67.795010 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -13.527 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -19.032 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: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -147.665024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.665024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.665024 (E_RNA) where: Base-Base interactions energy: -91.719 where: short stacking energy: -54.781 Base-Backbone interact. energy: -0.051 local terms energy: -55.894568 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -10.655 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -5.743 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: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -136.226517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.226517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.226517 (E_RNA) where: Base-Base interactions energy: -82.538 where: short stacking energy: -52.154 Base-Backbone interact. energy: -0.316 local terms energy: -53.372774 where: bonds (distance) C4'-P energy: -9.657 bonds (distance) P-C4' energy: -12.399 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -8.988 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -131.871130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.871130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.871130 (E_RNA) where: Base-Base interactions energy: -82.993 where: short stacking energy: -43.874 Base-Backbone interact. energy: 0.262 local terms energy: -49.140595 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -130.391328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.391328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.391328 (E_RNA) where: Base-Base interactions energy: -74.622 where: short stacking energy: -41.519 Base-Backbone interact. energy: -0.324 local terms energy: -55.444588 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -9.355 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: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -91.990858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.990858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.990858 (E_RNA) where: Base-Base interactions energy: -45.166 where: short stacking energy: -45.166 Base-Backbone interact. energy: -0.028 local terms energy: -46.797306 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -8.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -88.637799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.637799 (E_RNA) where: Base-Base interactions energy: -39.685 where: short stacking energy: -34.626 Base-Backbone interact. energy: -0.218 local terms energy: -48.734892 where: bonds (distance) C4'-P energy: -11.767 bonds (distance) P-C4' energy: -11.872 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -89.807257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.807257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.807257 (E_RNA) where: Base-Base interactions energy: -46.097 where: short stacking energy: -46.097 Base-Backbone interact. energy: -0.106 local terms energy: -43.604390 where: bonds (distance) C4'-P energy: -9.962 bonds (distance) P-C4' energy: -10.672 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -6.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -74.722848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.722848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.722848 (E_RNA) where: Base-Base interactions energy: -37.407 where: short stacking energy: -21.837 Base-Backbone interact. energy: -2.682 local terms energy: -34.633071 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: 1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -77.761352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.761352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.761352 (E_RNA) where: Base-Base interactions energy: -30.259 where: short stacking energy: -30.047 Base-Backbone interact. energy: -0.122 local terms energy: -47.380218 where: bonds (distance) C4'-P energy: -7.827 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -13.001 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: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -177.831114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.831114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.831114 (E_RNA) where: Base-Base interactions energy: -109.781 where: short stacking energy: -68.594 Base-Backbone interact. energy: -0.001 local terms energy: -68.049311 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -10.898 tors. eta vs tors. theta energy: -17.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -146.721946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.721946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.721946 (E_RNA) where: Base-Base interactions energy: -89.008 where: short stacking energy: -52.693 Base-Backbone interact. energy: -0.008 local terms energy: -57.706409 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -12.675 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: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -135.845592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.845592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.845592 (E_RNA) where: Base-Base interactions energy: -77.038 where: short stacking energy: -44.133 Base-Backbone interact. energy: 0.195 local terms energy: -59.002421 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -131.150517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.150517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.150517 (E_RNA) where: Base-Base interactions energy: -77.490 where: short stacking energy: -45.446 Base-Backbone interact. energy: -0.071 local terms energy: -53.589718 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -9.332 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -10.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -140.065052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.065052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.065052 (E_RNA) where: Base-Base interactions energy: -87.071 where: short stacking energy: -48.134 Base-Backbone interact. energy: 1.301 local terms energy: -54.294699 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -12.964 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: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -93.376688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.376688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.376688 (E_RNA) where: Base-Base interactions energy: -41.806 where: short stacking energy: -38.024 Base-Backbone interact. energy: -1.035 local terms energy: -50.535042 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -12.102 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -5.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -91.188446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.188446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.188446 (E_RNA) where: Base-Base interactions energy: -40.008 where: short stacking energy: -37.740 Base-Backbone interact. energy: -0.474 local terms energy: -50.706332 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -83.126624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.126624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.126624 (E_RNA) where: Base-Base interactions energy: -35.828 where: short stacking energy: -35.750 Base-Backbone interact. energy: -0.205 local terms energy: -47.094103 where: bonds (distance) C4'-P energy: -13.791 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -2.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -72.509983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.509983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.509983 (E_RNA) where: Base-Base interactions energy: -32.470 where: short stacking energy: -24.801 Base-Backbone interact. energy: -0.105 local terms energy: -39.934945 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -10.452 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -80.016337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.016337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.016337 (E_RNA) where: Base-Base interactions energy: -30.939 where: short stacking energy: -30.105 Base-Backbone interact. energy: -0.577 local terms energy: -48.499681 where: bonds (distance) C4'-P energy: -7.901 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -11.353 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -169.872019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.872019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.872019 (E_RNA) where: Base-Base interactions energy: -101.256 where: short stacking energy: -60.879 Base-Backbone interact. energy: -0.002 local terms energy: -68.614839 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -12.664 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -11.136 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: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -135.727012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.727012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.727012 (E_RNA) where: Base-Base interactions energy: -84.806 where: short stacking energy: -45.768 Base-Backbone interact. energy: -0.175 local terms energy: -50.745664 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -141.426393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.426393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.426393 (E_RNA) where: Base-Base interactions energy: -84.759 where: short stacking energy: -54.030 Base-Backbone interact. energy: -0.022 local terms energy: -56.646109 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -9.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -150.269667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.269667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.269667 (E_RNA) where: Base-Base interactions energy: -92.802 where: short stacking energy: -55.761 Base-Backbone interact. energy: 1.515 local terms energy: -58.982677 where: bonds (distance) C4'-P energy: -10.419 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -8.454 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: 5, replica: 2 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -138.374738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.374738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.374738 (E_RNA) where: Base-Base interactions energy: -82.339 where: short stacking energy: -53.270 Base-Backbone interact. energy: -1.281 local terms energy: -54.754722 where: bonds (distance) C4'-P energy: -12.417 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -10.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -91.523105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.523105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.523105 (E_RNA) where: Base-Base interactions energy: -47.535 where: short stacking energy: -37.735 Base-Backbone interact. energy: -0.192 local terms energy: -43.795301 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -10.259 flat angles C4'-P-C4' energy: -12.078 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -78.794751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.794751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.794751 (E_RNA) where: Base-Base interactions energy: -28.575 where: short stacking energy: -28.395 Base-Backbone interact. energy: -0.072 local terms energy: -50.147910 where: bonds (distance) C4'-P energy: -12.859 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.918 flat angles P-C4'-P energy: -5.649 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: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -91.131475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.131475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.131475 (E_RNA) where: Base-Base interactions energy: -41.923 where: short stacking energy: -41.923 Base-Backbone interact. energy: -0.013 local terms energy: -49.196200 where: bonds (distance) C4'-P energy: -9.035 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -78.317531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.317531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.317531 (E_RNA) where: Base-Base interactions energy: -49.860 where: short stacking energy: -34.961 Base-Backbone interact. energy: -0.251 local terms energy: -28.206144 where: bonds (distance) C4'-P energy: -6.128 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -1.812 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -69.591738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.591738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.591738 (E_RNA) where: Base-Base interactions energy: -23.964 where: short stacking energy: -23.964 Base-Backbone interact. energy: -0.306 local terms energy: -45.321173 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -10.898 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: 0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -169.991258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.991258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.991258 (E_RNA) where: Base-Base interactions energy: -101.140 where: short stacking energy: -66.274 Base-Backbone interact. energy: -0.002 local terms energy: -68.848909 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -10.482 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: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -146.952344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.952344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.952344 (E_RNA) where: Base-Base interactions energy: -89.862 where: short stacking energy: -58.238 Base-Backbone interact. energy: -0.102 local terms energy: -56.987907 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -10.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -165.029724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.029724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.029724 (E_RNA) where: Base-Base interactions energy: -99.193 where: short stacking energy: -62.428 Base-Backbone interact. energy: -0.019 local terms energy: -65.817910 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -11.233 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -18.543 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: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -147.204093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.204093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.204093 (E_RNA) where: Base-Base interactions energy: -84.391 where: short stacking energy: -55.564 Base-Backbone interact. energy: -0.066 local terms energy: -62.747095 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -12.201 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -11.076 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: 5, replica: 10 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -99.446314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.446314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.446314 (E_RNA) where: Base-Base interactions energy: -42.383 where: short stacking energy: -42.383 Base-Backbone interact. energy: -0.027 local terms energy: -57.036111 where: bonds (distance) C4'-P energy: -11.776 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -9.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -125.046004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.046004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.046004 (E_RNA) where: Base-Base interactions energy: -68.815 where: short stacking energy: -43.453 Base-Backbone interact. energy: 0.686 local terms energy: -56.917593 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -7.380 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: 7, replica: 8 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -89.727883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.727883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.727883 (E_RNA) where: Base-Base interactions energy: -42.000 where: short stacking energy: -32.450 Base-Backbone interact. energy: 0.382 local terms energy: -48.109957 where: bonds (distance) C4'-P energy: -5.210 bonds (distance) P-C4' energy: -14.954 flat angles C4'-P-C4' energy: -9.337 flat angles P-C4'-P energy: -12.069 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -83.223607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.223607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.223607 (E_RNA) where: Base-Base interactions energy: -36.478 where: short stacking energy: -34.080 Base-Backbone interact. energy: -0.326 local terms energy: -46.419945 where: bonds (distance) C4'-P energy: -5.247 bonds (distance) P-C4' energy: -14.048 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -86.138289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.138289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.138289 (E_RNA) where: Base-Base interactions energy: -41.032 where: short stacking energy: -26.747 Base-Backbone interact. energy: 0.039 local terms energy: -45.145404 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -82.609808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.609808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.609808 (E_RNA) where: Base-Base interactions energy: -38.623 where: short stacking energy: -24.768 Base-Backbone interact. energy: -0.193 local terms energy: -43.794697 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: 0.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -165.824879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.824879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.824879 (E_RNA) where: Base-Base interactions energy: -102.778 where: short stacking energy: -67.410 Base-Backbone interact. energy: -0.005 local terms energy: -63.042005 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -7.751 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: 2, replica: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -160.326979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.326979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.326979 (E_RNA) where: Base-Base interactions energy: -92.657 where: short stacking energy: -61.127 Base-Backbone interact. energy: 0.487 local terms energy: -68.157080 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -15.685 flat angles C4'-P-C4' energy: -15.433 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -16.565 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: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -142.934397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.934397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.934397 (E_RNA) where: Base-Base interactions energy: -82.851 where: short stacking energy: -55.502 Base-Backbone interact. energy: -0.015 local terms energy: -60.068082 where: bonds (distance) C4'-P energy: -11.726 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -11.354 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: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -109.360602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.360602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.360602 (E_RNA) where: Base-Base interactions energy: -53.394 where: short stacking energy: -45.177 Base-Backbone interact. energy: -1.121 local terms energy: -54.845855 where: bonds (distance) C4'-P energy: -13.597 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -8.274 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: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -131.335533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.335533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.335533 (E_RNA) where: Base-Base interactions energy: -77.729 where: short stacking energy: -53.596 Base-Backbone interact. energy: -0.093 local terms energy: -53.513902 where: bonds (distance) C4'-P energy: -10.029 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -10.165 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: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -119.597532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.597532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.597532 (E_RNA) where: Base-Base interactions energy: -69.728 where: short stacking energy: -36.774 Base-Backbone interact. energy: -0.081 local terms energy: -49.789033 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -106.210819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.210819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.210819 (E_RNA) where: Base-Base interactions energy: -63.983 where: short stacking energy: -37.849 Base-Backbone interact. energy: -0.071 local terms energy: -42.157059 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -7.715 flat angles C4'-P-C4' energy: -8.840 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -81.693669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.693669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.693669 (E_RNA) where: Base-Base interactions energy: -38.548 where: short stacking energy: -27.539 Base-Backbone interact. energy: -0.149 local terms energy: -42.997482 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -11.329 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -75.994162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.994162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.994162 (E_RNA) where: Base-Base interactions energy: -34.788 where: short stacking energy: -31.228 Base-Backbone interact. energy: -0.369 local terms energy: -40.837324 where: bonds (distance) C4'-P energy: -6.005 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -10.306 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -66.700981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.700981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.700981 (E_RNA) where: Base-Base interactions energy: -22.754 where: short stacking energy: -22.402 Base-Backbone interact. energy: -0.050 local terms energy: -43.897163 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -152.883390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.883390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.883390 (E_RNA) where: Base-Base interactions energy: -92.913 where: short stacking energy: -54.813 Base-Backbone interact. energy: -0.443 local terms energy: -59.527017 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -11.041 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -12.666 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: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -160.923537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.923537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.923537 (E_RNA) where: Base-Base interactions energy: -97.772 where: short stacking energy: -60.601 Base-Backbone interact. energy: -0.025 local terms energy: -63.126716 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -13.662 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: 3, replica: 9 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -133.973551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.973551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.973551 (E_RNA) where: Base-Base interactions energy: -80.391 where: short stacking energy: -49.050 Base-Backbone interact. energy: -0.080 local terms energy: -53.503142 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -8.805 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -98.536317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.536317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.536317 (E_RNA) where: Base-Base interactions energy: -48.694 where: short stacking energy: -36.574 Base-Backbone interact. energy: -0.000 local terms energy: -49.841560 where: bonds (distance) C4'-P energy: -10.205 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -9.538 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: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -128.619740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.619740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.619740 (E_RNA) where: Base-Base interactions energy: -76.489 where: short stacking energy: -48.082 Base-Backbone interact. energy: -0.032 local terms energy: -52.098639 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -125.570918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.570918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.570918 (E_RNA) where: Base-Base interactions energy: -78.205 where: short stacking energy: -51.184 Base-Backbone interact. energy: -0.003 local terms energy: -47.362685 where: bonds (distance) C4'-P energy: -8.952 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -11.566 tors. eta vs tors. theta energy: -8.209 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: 320 Temperature: 1.200000 Total energy: -124.825262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.825262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.825262 (E_RNA) where: Base-Base interactions energy: -67.264 where: short stacking energy: -38.888 Base-Backbone interact. energy: -0.061 local terms energy: -57.500692 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -83.533173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.533173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.533173 (E_RNA) where: Base-Base interactions energy: -34.975 where: short stacking energy: -34.383 Base-Backbone interact. energy: -0.023 local terms energy: -48.535430 where: bonds (distance) C4'-P energy: -8.919 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -9.803 flat angles P-C4'-P energy: -7.949 tors. eta vs tors. theta energy: -7.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -77.674913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.674913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.674913 (E_RNA) where: Base-Base interactions energy: -31.598 where: short stacking energy: -31.598 Base-Backbone interact. energy: -0.020 local terms energy: -46.056656 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -6.896 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -88.426499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.426499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.426499 (E_RNA) where: Base-Base interactions energy: -36.675 where: short stacking energy: -31.545 Base-Backbone interact. energy: -0.087 local terms energy: -51.665078 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -7.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -154.916886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.916886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.916886 (E_RNA) where: Base-Base interactions energy: -92.067 where: short stacking energy: -60.794 Base-Backbone interact. energy: -0.003 local terms energy: -62.846826 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -14.734 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: 321 Temperature: 0.950000 Total energy: -169.543115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.543115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.543115 (E_RNA) where: Base-Base interactions energy: -108.114 where: short stacking energy: -66.195 Base-Backbone interact. energy: -0.006 local terms energy: -61.423235 where: bonds (distance) C4'-P energy: -8.970 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -14.984 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: 3, replica: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -142.279492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.279492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.279492 (E_RNA) where: Base-Base interactions energy: -89.598 where: short stacking energy: -57.716 Base-Backbone interact. energy: 1.373 local terms energy: -54.055323 where: bonds (distance) C4'-P energy: -8.062 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -9.499 flat angles P-C4'-P energy: -8.100 tors. eta vs tors. theta energy: -12.898 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: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -130.342210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.342210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.342210 (E_RNA) where: Base-Base interactions energy: -70.978 where: short stacking energy: -41.130 Base-Backbone interact. energy: -0.349 local terms energy: -59.014925 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -11.084 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -9.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -102.471700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.471700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.471700 (E_RNA) where: Base-Base interactions energy: -46.929 where: short stacking energy: -46.929 Base-Backbone interact. energy: -0.020 local terms energy: -55.523029 where: bonds (distance) C4'-P energy: -7.806 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -8.800 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: 6, replica: 8 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -129.529526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.529526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.529526 (E_RNA) where: Base-Base interactions energy: -69.777 where: short stacking energy: -49.886 Base-Backbone interact. energy: -0.434 local terms energy: -59.319107 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -8.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -122.483111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.483111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.483111 (E_RNA) where: Base-Base interactions energy: -67.670 where: short stacking energy: -39.679 Base-Backbone interact. energy: 0.918 local terms energy: -55.731638 where: bonds (distance) C4'-P energy: -12.613 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -6.790 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: 321 Temperature: 1.250000 Total energy: -79.783044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.783044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.783044 (E_RNA) where: Base-Base interactions energy: -39.831 where: short stacking energy: -39.130 Base-Backbone interact. energy: -0.119 local terms energy: -39.833355 where: bonds (distance) C4'-P energy: -8.798 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -4.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -97.316746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.316746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.316746 (E_RNA) where: Base-Base interactions energy: -42.092 where: short stacking energy: -37.925 Base-Backbone interact. energy: -0.006 local terms energy: -55.218964 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -6.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -70.944523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.944523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.944523 (E_RNA) where: Base-Base interactions energy: -26.645 where: short stacking energy: -21.700 Base-Backbone interact. energy: -0.123 local terms energy: -44.177027 where: bonds (distance) C4'-P energy: -12.464 bonds (distance) P-C4' energy: -12.394 flat angles C4'-P-C4' energy: -10.928 flat angles P-C4'-P energy: -6.699 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: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -155.796670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.796670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.796670 (E_RNA) where: Base-Base interactions energy: -98.993 where: short stacking energy: -65.158 Base-Backbone interact. energy: -0.002 local terms energy: -56.801543 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -13.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -168.977463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.977463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.977463 (E_RNA) where: Base-Base interactions energy: -107.470 where: short stacking energy: -70.164 Base-Backbone interact. energy: -0.405 local terms energy: -61.102577 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -15.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -140.106638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.106638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.106638 (E_RNA) where: Base-Base interactions energy: -86.919 where: short stacking energy: -55.637 Base-Backbone interact. energy: -0.188 local terms energy: -52.999743 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -10.250 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: 322 Temperature: 1.050000 Total energy: -112.271883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.271883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.271883 (E_RNA) where: Base-Base interactions energy: -57.986 where: short stacking energy: -56.953 Base-Backbone interact. energy: 0.096 local terms energy: -54.381103 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -8.288 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -7.232 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: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -134.850492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.850492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.850492 (E_RNA) where: Base-Base interactions energy: -87.167 where: short stacking energy: -52.415 Base-Backbone interact. energy: -0.357 local terms energy: -47.326760 where: bonds (distance) C4'-P energy: -9.466 bonds (distance) P-C4' energy: -8.651 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -11.105 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: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -86.805756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.805756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.805756 (E_RNA) where: Base-Base interactions energy: -37.783 where: short stacking energy: -36.923 Base-Backbone interact. energy: -0.060 local terms energy: -48.963021 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -99.821337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.821337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.821337 (E_RNA) where: Base-Base interactions energy: -55.921 where: short stacking energy: -28.541 Base-Backbone interact. energy: -0.192 local terms energy: -43.707904 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -81.572798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.572798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.572798 (E_RNA) where: Base-Base interactions energy: -34.045 where: short stacking energy: -33.085 Base-Backbone interact. energy: -0.397 local terms energy: -47.130077 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -82.916620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.916620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.916620 (E_RNA) where: Base-Base interactions energy: -39.257 where: short stacking energy: -36.741 Base-Backbone interact. energy: -0.153 local terms energy: -43.506444 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -8.769 flat angles C4'-P-C4' energy: -16.095 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -69.939169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.939169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.939169 (E_RNA) where: Base-Base interactions energy: -29.357 where: short stacking energy: -29.357 Base-Backbone interact. energy: -0.107 local terms energy: -40.476087 where: bonds (distance) C4'-P energy: -7.822 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -166.282865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.282865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.282865 (E_RNA) where: Base-Base interactions energy: -99.565 where: short stacking energy: -53.167 Base-Backbone interact. energy: -0.002 local terms energy: -66.715584 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -13.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -150.802443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.802443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.802443 (E_RNA) where: Base-Base interactions energy: -91.705 where: short stacking energy: -58.457 Base-Backbone interact. energy: 1.011 local terms energy: -60.107869 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -8.233 tors. eta vs tors. theta energy: -11.923 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: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -140.611142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.611142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.611142 (E_RNA) where: Base-Base interactions energy: -79.517 where: short stacking energy: -51.593 Base-Backbone interact. energy: -0.122 local terms energy: -60.971556 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -12.433 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: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -144.501049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.501049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.501049 (E_RNA) where: Base-Base interactions energy: -85.380 where: short stacking energy: -52.983 Base-Backbone interact. energy: -0.003 local terms energy: -59.118141 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -13.697 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: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -103.078190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.078190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.078190 (E_RNA) where: Base-Base interactions energy: -47.234 where: short stacking energy: -45.114 Base-Backbone interact. energy: -0.442 local terms energy: -55.402605 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -15.249 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -8.151 tors. eta vs tors. theta energy: -7.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -92.219488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.219488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.219488 (E_RNA) where: Base-Base interactions energy: -37.026 where: short stacking energy: -34.742 Base-Backbone interact. energy: -0.140 local terms energy: -55.053705 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -6.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -82.529901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.529901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.529901 (E_RNA) where: Base-Base interactions energy: -36.169 where: short stacking energy: -36.169 Base-Backbone interact. energy: 0.042 local terms energy: -46.402434 where: bonds (distance) C4'-P energy: -10.919 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -84.242896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.242896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.242896 (E_RNA) where: Base-Base interactions energy: -33.769 where: short stacking energy: -33.549 Base-Backbone interact. energy: -0.182 local terms energy: -50.292017 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -70.250177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.250177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.250177 (E_RNA) where: Base-Base interactions energy: -27.248 where: short stacking energy: -21.592 Base-Backbone interact. energy: 2.006 local terms energy: -45.008621 where: bonds (distance) C4'-P energy: -11.377 bonds (distance) P-C4' energy: -15.154 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: 0.937 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: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -66.713013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.713013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.713013 (E_RNA) where: Base-Base interactions energy: -19.403 where: short stacking energy: -16.378 Base-Backbone interact. energy: 0.056 local terms energy: -47.366036 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: 0.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -160.712144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.712144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.712144 (E_RNA) where: Base-Base interactions energy: -98.590 where: short stacking energy: -53.517 Base-Backbone interact. energy: -0.386 local terms energy: -61.736625 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -10.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -149.045531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.045531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.045531 (E_RNA) where: Base-Base interactions energy: -87.090 where: short stacking energy: -56.193 Base-Backbone interact. energy: 0.120 local terms energy: -62.076092 where: bonds (distance) C4'-P energy: -12.707 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -13.885 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: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -155.255845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.255845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.255845 (E_RNA) where: Base-Base interactions energy: -100.556 where: short stacking energy: -53.875 Base-Backbone interact. energy: -0.160 local terms energy: -54.539612 where: bonds (distance) C4'-P energy: -12.190 bonds (distance) P-C4' energy: -11.272 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -12.047 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: 1 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -144.110560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.110560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.110560 (E_RNA) where: Base-Base interactions energy: -86.575 where: short stacking energy: -55.548 Base-Backbone interact. energy: -0.005 local terms energy: -57.530193 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -11.724 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: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -96.185219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.185219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.185219 (E_RNA) where: Base-Base interactions energy: -46.648 where: short stacking energy: -31.975 Base-Backbone interact. energy: -1.545 local terms energy: -47.992572 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -11.466 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -92.594914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.594914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.594914 (E_RNA) where: Base-Base interactions energy: -37.901 where: short stacking energy: -37.901 Base-Backbone interact. energy: -0.022 local terms energy: -54.671747 where: bonds (distance) C4'-P energy: -10.560 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -8.726 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: 324 Temperature: 1.200000 Total energy: -86.297608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.297608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.297608 (E_RNA) where: Base-Base interactions energy: -40.813 where: short stacking energy: -25.659 Base-Backbone interact. energy: -1.172 local terms energy: -44.312033 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -14.912 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -82.935221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.935221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.935221 (E_RNA) where: Base-Base interactions energy: -33.048 where: short stacking energy: -31.963 Base-Backbone interact. energy: -0.159 local terms energy: -49.727916 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -8.700 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -77.932316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.932316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.932316 (E_RNA) where: Base-Base interactions energy: -35.534 where: short stacking energy: -29.131 Base-Backbone interact. energy: -1.696 local terms energy: -40.701712 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -79.678180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.678180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.678180 (E_RNA) where: Base-Base interactions energy: -35.654 where: short stacking energy: -31.528 Base-Backbone interact. energy: 0.936 local terms energy: -44.960871 where: bonds (distance) C4'-P energy: -12.587 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -10.823 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -6.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -170.661604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.661604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.661604 (E_RNA) where: Base-Base interactions energy: -106.225 where: short stacking energy: -60.360 Base-Backbone interact. energy: -0.637 local terms energy: -63.800402 where: bonds (distance) C4'-P energy: -14.412 bonds (distance) P-C4' energy: -14.164 flat angles C4'-P-C4' energy: -11.211 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -13.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -143.518793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.518793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.518793 (E_RNA) where: Base-Base interactions energy: -85.807 where: short stacking energy: -53.941 Base-Backbone interact. energy: -0.623 local terms energy: -57.088756 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -13.025 flat angles C4'-P-C4' energy: -10.579 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -9.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -140.942033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.942033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.942033 (E_RNA) where: Base-Base interactions energy: -80.861 where: short stacking energy: -53.992 Base-Backbone interact. energy: -0.002 local terms energy: -60.079523 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -12.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -106.753665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.753665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.753665 (E_RNA) where: Base-Base interactions energy: -49.534 where: short stacking energy: -49.521 Base-Backbone interact. energy: -0.079 local terms energy: -57.140264 where: bonds (distance) C4'-P energy: -15.915 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -9.755 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -7.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -132.790488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.790488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.790488 (E_RNA) where: Base-Base interactions energy: -80.038 where: short stacking energy: -49.263 Base-Backbone interact. energy: -0.068 local terms energy: -52.684140 where: bonds (distance) C4'-P energy: -8.683 bonds (distance) P-C4' energy: -8.677 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -12.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -88.339811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.339811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.339811 (E_RNA) where: Base-Base interactions energy: -33.918 where: short stacking energy: -32.268 Base-Backbone interact. energy: -0.699 local terms energy: -53.722928 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -99.339502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.339502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.339502 (E_RNA) where: Base-Base interactions energy: -52.366 where: short stacking energy: -36.246 Base-Backbone interact. energy: 0.623 local terms energy: -47.596225 where: bonds (distance) C4'-P energy: -13.634 bonds (distance) P-C4' energy: -6.482 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -7.211 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: 8, replica: 5 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -88.140969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.140969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.140969 (E_RNA) where: Base-Base interactions energy: -39.829 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.075 local terms energy: -48.236518 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -8.166 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -76.847660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.847660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.847660 (E_RNA) where: Base-Base interactions energy: -29.700 where: short stacking energy: -27.980 Base-Backbone interact. energy: -0.078 local terms energy: -47.069116 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -11.017 flat angles C4'-P-C4' energy: -9.808 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -6.747 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: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -82.592289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.592289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.592289 (E_RNA) where: Base-Base interactions energy: -34.083 where: short stacking energy: -33.562 Base-Backbone interact. energy: -0.230 local terms energy: -48.279339 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -10.274 flat angles P-C4'-P energy: -10.571 tors. eta vs tors. theta energy: -0.506 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: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -171.833096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.833096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.833096 (E_RNA) where: Base-Base interactions energy: -105.636 where: short stacking energy: -70.089 Base-Backbone interact. energy: -0.009 local terms energy: -66.188094 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -14.677 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -10.912 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: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -161.163463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.163463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.163463 (E_RNA) where: Base-Base interactions energy: -97.582 where: short stacking energy: -60.012 Base-Backbone interact. energy: -0.505 local terms energy: -63.076219 where: bonds (distance) C4'-P energy: -16.077 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -10.711 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: 9 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -149.512268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.512268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.512268 (E_RNA) where: Base-Base interactions energy: -94.054 where: short stacking energy: -55.046 Base-Backbone interact. energy: -0.022 local terms energy: -55.436043 where: bonds (distance) C4'-P energy: -8.675 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -9.774 tors. eta vs tors. theta energy: -10.104 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -102.592999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.592999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.592999 (E_RNA) where: Base-Base interactions energy: -49.486 where: short stacking energy: -48.618 Base-Backbone interact. energy: -0.050 local terms energy: -53.057096 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -11.576 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -151.913311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.913311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.913311 (E_RNA) where: Base-Base interactions energy: -89.787 where: short stacking energy: -59.341 Base-Backbone interact. energy: -0.008 local terms energy: -62.118887 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -10.371 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -13.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -90.200642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.200642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.200642 (E_RNA) where: Base-Base interactions energy: -41.538 where: short stacking energy: -41.538 Base-Backbone interact. energy: -0.008 local terms energy: -48.653856 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -104.688901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.688901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.688901 (E_RNA) where: Base-Base interactions energy: -51.452 where: short stacking energy: -39.255 Base-Backbone interact. energy: -0.004 local terms energy: -53.232831 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -7.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -75.309337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.309337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.309337 (E_RNA) where: Base-Base interactions energy: -29.645 where: short stacking energy: -28.895 Base-Backbone interact. energy: 0.368 local terms energy: -46.032798 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -83.587031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.587031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.587031 (E_RNA) where: Base-Base interactions energy: -40.138 where: short stacking energy: -40.138 Base-Backbone interact. energy: -0.130 local terms energy: -43.318748 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.569 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: 4 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -74.538683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.538683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.538683 (E_RNA) where: Base-Base interactions energy: -35.034 where: short stacking energy: -33.895 Base-Backbone interact. energy: -0.130 local terms energy: -39.374787 where: bonds (distance) C4'-P energy: -13.225 bonds (distance) P-C4' energy: -10.678 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -168.765427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.765427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.765427 (E_RNA) where: Base-Base interactions energy: -105.737 where: short stacking energy: -65.792 Base-Backbone interact. energy: -0.405 local terms energy: -62.623675 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -9.649 flat angles P-C4'-P energy: -12.929 tors. eta vs tors. theta energy: -14.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -156.355785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.355785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.355785 (E_RNA) where: Base-Base interactions energy: -92.007 where: short stacking energy: -55.617 Base-Backbone interact. energy: -0.010 local terms energy: -64.339616 where: bonds (distance) C4'-P energy: -15.945 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -13.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -151.923552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.923552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.923552 (E_RNA) where: Base-Base interactions energy: -90.908 where: short stacking energy: -55.614 Base-Backbone interact. energy: -0.009 local terms energy: -61.006498 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -7.793 tors. eta vs tors. theta energy: -13.466 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: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -145.574422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.574422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.574422 (E_RNA) where: Base-Base interactions energy: -82.118 where: short stacking energy: -44.911 Base-Backbone interact. energy: -0.002 local terms energy: -63.454987 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -15.059 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: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -91.955768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.955768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.955768 (E_RNA) where: Base-Base interactions energy: -45.858 where: short stacking energy: -44.480 Base-Backbone interact. energy: 0.218 local terms energy: -46.316046 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -13.726 flat angles C4'-P-C4' energy: -9.955 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -5.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -90.134311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.134311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.134311 (E_RNA) where: Base-Base interactions energy: -47.502 where: short stacking energy: -31.630 Base-Backbone interact. energy: -0.111 local terms energy: -42.522130 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -88.133156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.133156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.133156 (E_RNA) where: Base-Base interactions energy: -45.215 where: short stacking energy: -26.291 Base-Backbone interact. energy: -0.168 local terms energy: -42.749310 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -6.113 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: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -83.367522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.367522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.367522 (E_RNA) where: Base-Base interactions energy: -32.202 where: short stacking energy: -30.826 Base-Backbone interact. energy: -0.079 local terms energy: -51.087031 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -85.785223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.785223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.785223 (E_RNA) where: Base-Base interactions energy: -36.472 where: short stacking energy: -36.472 Base-Backbone interact. energy: -0.046 local terms energy: -49.266769 where: bonds (distance) C4'-P energy: -7.616 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -75.724993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.724993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.724993 (E_RNA) where: Base-Base interactions energy: -35.219 where: short stacking energy: -25.225 Base-Backbone interact. energy: 0.544 local terms energy: -41.049958 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -8.974 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -7.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -171.932410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.932410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.932410 (E_RNA) where: Base-Base interactions energy: -110.716 where: short stacking energy: -71.332 Base-Backbone interact. energy: -0.001 local terms energy: -61.214541 where: bonds (distance) C4'-P energy: -7.512 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -10.582 tors. eta vs tors. theta energy: -16.175 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: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -155.064964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.064964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.064964 (E_RNA) where: Base-Base interactions energy: -93.138 where: short stacking energy: -58.952 Base-Backbone interact. energy: 0.715 local terms energy: -62.641863 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -16.165 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -15.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -165.516745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.516745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.516745 (E_RNA) where: Base-Base interactions energy: -103.374 where: short stacking energy: -66.534 Base-Backbone interact. energy: -0.596 local terms energy: -61.546554 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -10.495 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -16.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -146.701457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.701457 (E_RNA) where: Base-Base interactions energy: -89.807 where: short stacking energy: -56.684 Base-Backbone interact. energy: 0.243 local terms energy: -57.137707 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -10.202 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: 5 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -93.894883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.894883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.894883 (E_RNA) where: Base-Base interactions energy: -43.700 where: short stacking energy: -42.020 Base-Backbone interact. energy: -0.098 local terms energy: -50.097167 where: bonds (distance) C4'-P energy: -15.009 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: 2.036 tors. eta vs tors. theta energy: -7.975 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: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -97.364954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.364954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.364954 (E_RNA) where: Base-Base interactions energy: -46.732 where: short stacking energy: -46.732 Base-Backbone interact. energy: -0.031 local terms energy: -50.601787 where: bonds (distance) C4'-P energy: -8.121 bonds (distance) P-C4' energy: -12.728 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -10.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -93.830089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.830089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.830089 (E_RNA) where: Base-Base interactions energy: -43.814 where: short stacking energy: -43.814 Base-Backbone interact. energy: -0.005 local terms energy: -50.011510 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -9.766 flat angles P-C4'-P energy: -7.695 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: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -90.872461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.872461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.872461 (E_RNA) where: Base-Base interactions energy: -41.907 where: short stacking energy: -40.701 Base-Backbone interact. energy: -0.026 local terms energy: -48.939526 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -11.964 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -8.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -77.340316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.340316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.340316 (E_RNA) where: Base-Base interactions energy: -35.100 where: short stacking energy: -35.100 Base-Backbone interact. energy: -0.102 local terms energy: -42.137736 where: bonds (distance) C4'-P energy: -7.872 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -83.151268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.151268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.151268 (E_RNA) where: Base-Base interactions energy: -40.181 where: short stacking energy: -38.968 Base-Backbone interact. energy: -0.020 local terms energy: -42.950201 where: bonds (distance) C4'-P energy: -8.182 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -8.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -169.298915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.298915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.298915 (E_RNA) where: Base-Base interactions energy: -106.554 where: short stacking energy: -65.234 Base-Backbone interact. energy: -0.139 local terms energy: -62.606044 where: bonds (distance) C4'-P energy: -12.102 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -6.735 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: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -149.099531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.099531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.099531 (E_RNA) where: Base-Base interactions energy: -88.560 where: short stacking energy: -58.715 Base-Backbone interact. energy: -0.132 local terms energy: -60.407866 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -13.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -143.830948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.830948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.830948 (E_RNA) where: Base-Base interactions energy: -83.534 where: short stacking energy: -55.253 Base-Backbone interact. energy: -0.593 local terms energy: -59.703998 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -8.142 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: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -151.392029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.392029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.392029 (E_RNA) where: Base-Base interactions energy: -94.138 where: short stacking energy: -64.146 Base-Backbone interact. energy: 1.595 local terms energy: -58.849828 where: bonds (distance) C4'-P energy: -10.429 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -11.696 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: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -119.259646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.259646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.259646 (E_RNA) where: Base-Base interactions energy: -63.462 where: short stacking energy: -50.106 Base-Backbone interact. energy: 0.078 local terms energy: -55.875966 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -11.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -100.284778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.284778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.284778 (E_RNA) where: Base-Base interactions energy: -52.192 where: short stacking energy: -48.265 Base-Backbone interact. energy: -0.218 local terms energy: -47.875172 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -9.840 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -7.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -81.956339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.956339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.956339 (E_RNA) where: Base-Base interactions energy: -33.235 where: short stacking energy: -33.235 Base-Backbone interact. energy: -0.103 local terms energy: -48.617627 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -5.193 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: 329 Temperature: 1.250000 Total energy: -72.353448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.353448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.353448 (E_RNA) where: Base-Base interactions energy: -22.252 where: short stacking energy: -22.252 Base-Backbone interact. energy: 0.139 local terms energy: -50.240670 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -9.460 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: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -80.153878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.153878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.153878 (E_RNA) where: Base-Base interactions energy: -31.073 where: short stacking energy: -31.073 Base-Backbone interact. energy: -0.046 local terms energy: -49.034201 where: bonds (distance) C4'-P energy: -10.236 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -76.326077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.326077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.326077 (E_RNA) where: Base-Base interactions energy: -36.267 where: short stacking energy: -34.213 Base-Backbone interact. energy: -0.078 local terms energy: -39.981334 where: bonds (distance) C4'-P energy: -9.582 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -1.709 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -164.724756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.724756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.724756 (E_RNA) where: Base-Base interactions energy: -98.620 where: short stacking energy: -61.231 Base-Backbone interact. energy: -0.009 local terms energy: -66.095669 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -10.181 tors. eta vs tors. theta energy: -15.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -145.633992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.633992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.633992 (E_RNA) where: Base-Base interactions energy: -90.851 where: short stacking energy: -51.958 Base-Backbone interact. energy: -0.403 local terms energy: -54.380620 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -6.204 tors. eta vs tors. theta energy: -11.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -149.683552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.683552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.683552 (E_RNA) where: Base-Base interactions energy: -89.633 where: short stacking energy: -60.067 Base-Backbone interact. energy: -0.001 local terms energy: -60.049824 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -13.851 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: 9 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -138.633695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.633695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.633695 (E_RNA) where: Base-Base interactions energy: -82.559 where: short stacking energy: -48.579 Base-Backbone interact. energy: -0.646 local terms energy: -55.428245 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -14.425 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: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -110.439629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.439629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.439629 (E_RNA) where: Base-Base interactions energy: -54.094 where: short stacking energy: -39.755 Base-Backbone interact. energy: -0.105 local terms energy: -56.240202 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -8.840 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: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -99.899919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.899919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.899919 (E_RNA) where: Base-Base interactions energy: -53.000 where: short stacking energy: -40.689 Base-Backbone interact. energy: -0.560 local terms energy: -46.339315 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -11.815 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -94.432240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.432240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.432240 (E_RNA) where: Base-Base interactions energy: -43.260 where: short stacking energy: -43.260 Base-Backbone interact. energy: -0.004 local terms energy: -51.168338 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -10.612 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -7.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -83.187665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.187665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.187665 (E_RNA) where: Base-Base interactions energy: -42.169 where: short stacking energy: -32.484 Base-Backbone interact. energy: -0.161 local terms energy: -40.857929 where: bonds (distance) C4'-P energy: -7.189 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -78.436619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.436619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.436619 (E_RNA) where: Base-Base interactions energy: -31.380 where: short stacking energy: -29.640 Base-Backbone interact. energy: -0.080 local terms energy: -46.976565 where: bonds (distance) C4'-P energy: -10.713 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -3.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -95.496892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.496892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.496892 (E_RNA) where: Base-Base interactions energy: -36.142 where: short stacking energy: -36.142 Base-Backbone interact. energy: -0.043 local terms energy: -59.311403 where: bonds (distance) C4'-P energy: -8.344 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -12.693 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: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -164.414442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.414442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.414442 (E_RNA) where: Base-Base interactions energy: -95.175 where: short stacking energy: -57.985 Base-Backbone interact. energy: -0.535 local terms energy: -68.703892 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -150.887135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.887135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.887135 (E_RNA) where: Base-Base interactions energy: -92.865 where: short stacking energy: -59.574 Base-Backbone interact. energy: -0.062 local terms energy: -57.959896 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -13.988 flat angles C4'-P-C4' energy: -11.372 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -12.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -145.422729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.422729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.422729 (E_RNA) where: Base-Base interactions energy: -89.130 where: short stacking energy: -52.397 Base-Backbone interact. energy: -0.706 local terms energy: -55.587404 where: bonds (distance) C4'-P energy: -13.088 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -9.746 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -11.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -141.058334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.058334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.058334 (E_RNA) where: Base-Base interactions energy: -80.796 where: short stacking energy: -52.746 Base-Backbone interact. energy: -0.006 local terms energy: -60.256756 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -15.083 flat angles C4'-P-C4' energy: -9.539 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -13.726 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: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -90.614082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.614082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.614082 (E_RNA) where: Base-Base interactions energy: -38.908 where: short stacking energy: -38.908 Base-Backbone interact. energy: -0.029 local terms energy: -51.676751 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -6.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -95.029773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.029773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.029773 (E_RNA) where: Base-Base interactions energy: -42.996 where: short stacking energy: -43.496 Base-Backbone interact. energy: -0.005 local terms energy: -52.029101 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -9.492 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -87.539640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.539640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.539640 (E_RNA) where: Base-Base interactions energy: -41.456 where: short stacking energy: -41.456 Base-Backbone interact. energy: -0.473 local terms energy: -45.610846 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -9.759 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -83.650742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.650742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.650742 (E_RNA) where: Base-Base interactions energy: -37.318 where: short stacking energy: -37.318 Base-Backbone interact. energy: -0.228 local terms energy: -46.105049 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -7.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -78.522648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.522648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.522648 (E_RNA) where: Base-Base interactions energy: -30.779 where: short stacking energy: -22.993 Base-Backbone interact. energy: -0.797 local terms energy: -46.946473 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -2.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -77.756880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.756880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.756880 (E_RNA) where: Base-Base interactions energy: -30.331 where: short stacking energy: -28.260 Base-Backbone interact. energy: 1.308 local terms energy: -48.734139 where: bonds (distance) C4'-P energy: -10.633 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -6.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -167.131310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.131310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.131310 (E_RNA) where: Base-Base interactions energy: -97.408 where: short stacking energy: -61.166 Base-Backbone interact. energy: -0.004 local terms energy: -69.719507 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -17.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -158.514979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.514979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.514979 (E_RNA) where: Base-Base interactions energy: -92.782 where: short stacking energy: -59.487 Base-Backbone interact. energy: -0.105 local terms energy: -65.627779 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -15.850 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: 9 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -142.937169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.937169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.937169 (E_RNA) where: Base-Base interactions energy: -88.539 where: short stacking energy: -53.018 Base-Backbone interact. energy: -0.008 local terms energy: -54.390369 where: bonds (distance) C4'-P energy: -8.837 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -10.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -146.243362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.243362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.243362 (E_RNA) where: Base-Base interactions energy: -92.576 where: short stacking energy: -59.794 Base-Backbone interact. energy: 0.091 local terms energy: -53.758676 where: bonds (distance) C4'-P energy: -8.447 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -112.700729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.700729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.700729 (E_RNA) where: Base-Base interactions energy: -54.594 where: short stacking energy: -54.594 Base-Backbone interact. energy: -0.097 local terms energy: -58.009822 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -5.598 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: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -98.356443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.356443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.356443 (E_RNA) where: Base-Base interactions energy: -51.413 where: short stacking energy: -49.318 Base-Backbone interact. energy: 0.702 local terms energy: -47.646067 where: bonds (distance) C4'-P energy: -13.523 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -9.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -86.867849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.867849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.867849 (E_RNA) where: Base-Base interactions energy: -38.754 where: short stacking energy: -30.881 Base-Backbone interact. energy: -0.573 local terms energy: -47.540683 where: bonds (distance) C4'-P energy: -11.705 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -85.567619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.567619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.567619 (E_RNA) where: Base-Base interactions energy: -39.743 where: short stacking energy: -24.627 Base-Backbone interact. energy: 0.346 local terms energy: -46.171149 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: 0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -79.751791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.751791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.751791 (E_RNA) where: Base-Base interactions energy: -39.824 where: short stacking energy: -26.299 Base-Backbone interact. energy: -0.065 local terms energy: -39.862777 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -6.940 flat angles C4'-P-C4' energy: -10.339 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -83.767151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.767151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.767151 (E_RNA) where: Base-Base interactions energy: -35.231 where: short stacking energy: -22.573 Base-Backbone interact. energy: -0.220 local terms energy: -48.315831 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: 0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -166.424517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.424517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.424517 (E_RNA) where: Base-Base interactions energy: -99.210 where: short stacking energy: -65.135 Base-Backbone interact. energy: -0.002 local terms energy: -67.212808 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -14.108 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -14.572 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: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -159.290947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.290947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.290947 (E_RNA) where: Base-Base interactions energy: -97.481 where: short stacking energy: -59.876 Base-Backbone interact. energy: -0.015 local terms energy: -61.795115 where: bonds (distance) C4'-P energy: -14.070 bonds (distance) P-C4' energy: -11.846 flat angles C4'-P-C4' energy: -12.042 flat angles P-C4'-P energy: -9.874 tors. eta vs tors. theta energy: -13.964 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: 9 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -142.536706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.536706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.536706 (E_RNA) where: Base-Base interactions energy: -80.146 where: short stacking energy: -50.409 Base-Backbone interact. energy: -0.287 local terms energy: -62.103663 where: bonds (distance) C4'-P energy: -14.272 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -11.075 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: 1 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -137.168621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.168621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.168621 (E_RNA) where: Base-Base interactions energy: -88.795 where: short stacking energy: -49.947 Base-Backbone interact. energy: -0.111 local terms energy: -48.261970 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -9.475 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -121.126644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.126644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.126644 (E_RNA) where: Base-Base interactions energy: -57.835 where: short stacking energy: -57.835 Base-Backbone interact. energy: -0.012 local terms energy: -63.279718 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -8.660 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: 6, replica: 10 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -95.508452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.508452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.508452 (E_RNA) where: Base-Base interactions energy: -41.451 where: short stacking energy: -32.615 Base-Backbone interact. energy: -0.023 local terms energy: -54.034639 where: bonds (distance) C4'-P energy: -14.454 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -8.019 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: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -93.741705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.741705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.741705 (E_RNA) where: Base-Base interactions energy: -40.705 where: short stacking energy: -40.474 Base-Backbone interact. energy: -0.034 local terms energy: -53.003494 where: bonds (distance) C4'-P energy: -7.831 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -7.428 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: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -94.571681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.571681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.571681 (E_RNA) where: Base-Base interactions energy: -47.696 where: short stacking energy: -36.692 Base-Backbone interact. energy: -0.046 local terms energy: -46.830611 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -10.704 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -76.415639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.415639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.415639 (E_RNA) where: Base-Base interactions energy: -33.434 where: short stacking energy: -28.406 Base-Backbone interact. energy: 0.239 local terms energy: -43.220273 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -9.386 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -4.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -73.665721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.665721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.665721 (E_RNA) where: Base-Base interactions energy: -33.742 where: short stacking energy: -26.121 Base-Backbone interact. energy: -0.049 local terms energy: -39.874597 where: bonds (distance) C4'-P energy: -11.303 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -162.361518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.361518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.361518 (E_RNA) where: Base-Base interactions energy: -94.580 where: short stacking energy: -62.774 Base-Backbone interact. energy: 0.409 local terms energy: -68.190648 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -14.921 flat angles C4'-P-C4' energy: -10.674 flat angles P-C4'-P energy: -10.188 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: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -168.623318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.623318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.623318 (E_RNA) where: Base-Base interactions energy: -104.824 where: short stacking energy: -66.113 Base-Backbone interact. energy: -0.008 local terms energy: -63.790791 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -9.870 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -14.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -149.745356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.745356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.745356 (E_RNA) where: Base-Base interactions energy: -89.768 where: short stacking energy: -59.110 Base-Backbone interact. energy: -0.005 local terms energy: -59.972423 where: bonds (distance) C4'-P energy: -10.003 bonds (distance) P-C4' energy: -11.139 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -10.877 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: 4, replica: 9 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -139.380657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.380657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.380657 (E_RNA) where: Base-Base interactions energy: -75.453 where: short stacking energy: -45.746 Base-Backbone interact. energy: -0.061 local terms energy: -63.866728 where: bonds (distance) C4'-P energy: -14.897 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -9.897 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: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -101.748240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.748240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.748240 (E_RNA) where: Base-Base interactions energy: -42.466 where: short stacking energy: -38.394 Base-Backbone interact. energy: -0.125 local terms energy: -59.156912 where: bonds (distance) C4'-P energy: -16.168 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -10.189 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -98.364182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.364182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.364182 (E_RNA) where: Base-Base interactions energy: -45.438 where: short stacking energy: -44.556 Base-Backbone interact. energy: -0.013 local terms energy: -52.912625 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -9.634 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -10.408 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: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -90.556660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.556660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.556660 (E_RNA) where: Base-Base interactions energy: -42.479 where: short stacking energy: -32.136 Base-Backbone interact. energy: -0.181 local terms energy: -47.896746 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -92.725510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.725510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.725510 (E_RNA) where: Base-Base interactions energy: -47.191 where: short stacking energy: -45.894 Base-Backbone interact. energy: -0.272 local terms energy: -45.262624 where: bonds (distance) C4'-P energy: -10.438 bonds (distance) P-C4' energy: -11.853 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -6.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -78.478050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.478050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.478050 (E_RNA) where: Base-Base interactions energy: -36.034 where: short stacking energy: -28.565 Base-Backbone interact. energy: -0.714 local terms energy: -41.730034 where: bonds (distance) C4'-P energy: -12.393 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: 0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -66.028739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.028739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.028739 (E_RNA) where: Base-Base interactions energy: -27.191 where: short stacking energy: -15.969 Base-Backbone interact. energy: -0.318 local terms energy: -38.520486 where: bonds (distance) C4'-P energy: -10.246 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -9.628 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: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -150.019446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.019446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.019446 (E_RNA) where: Base-Base interactions energy: -84.484 where: short stacking energy: -54.234 Base-Backbone interact. energy: -0.001 local terms energy: -65.535186 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -10.631 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: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -150.801267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.801267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.801267 (E_RNA) where: Base-Base interactions energy: -91.801 where: short stacking energy: -57.136 Base-Backbone interact. energy: -0.008 local terms energy: -58.992111 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -12.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -144.715440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.715440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.715440 (E_RNA) where: Base-Base interactions energy: -90.004 where: short stacking energy: -54.284 Base-Backbone interact. energy: -0.447 local terms energy: -54.264884 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -12.924 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: 9 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -131.233857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.233857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.233857 (E_RNA) where: Base-Base interactions energy: -80.171 where: short stacking energy: -56.248 Base-Backbone interact. energy: 2.217 local terms energy: -53.279977 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -9.630 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -9.822 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: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -101.236909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.236909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.236909 (E_RNA) where: Base-Base interactions energy: -48.845 where: short stacking energy: -44.600 Base-Backbone interact. energy: -0.097 local terms energy: -52.294146 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -9.928 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -8.303 tors. eta vs tors. theta energy: -10.100 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: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -98.067700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.067700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.067700 (E_RNA) where: Base-Base interactions energy: -47.804 where: short stacking energy: -34.123 Base-Backbone interact. energy: -0.425 local terms energy: -49.838168 where: bonds (distance) C4'-P energy: -10.277 bonds (distance) P-C4' energy: -11.655 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -7.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -86.767309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.767309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.767309 (E_RNA) where: Base-Base interactions energy: -42.677 where: short stacking energy: -38.517 Base-Backbone interact. energy: -0.087 local terms energy: -44.002942 where: bonds (distance) C4'-P energy: -7.589 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -82.147795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.147795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.147795 (E_RNA) where: Base-Base interactions energy: -34.947 where: short stacking energy: -34.947 Base-Backbone interact. energy: -0.237 local terms energy: -46.962893 where: bonds (distance) C4'-P energy: -7.909 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -76.835697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.835697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.835697 (E_RNA) where: Base-Base interactions energy: -28.629 where: short stacking energy: -28.346 Base-Backbone interact. energy: -0.503 local terms energy: -47.703644 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -74.035760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.035760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.035760 (E_RNA) where: Base-Base interactions energy: -31.483 where: short stacking energy: -31.483 Base-Backbone interact. energy: 0.515 local terms energy: -43.067586 where: bonds (distance) C4'-P energy: -11.660 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: 1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -147.251061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.251061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.251061 (E_RNA) where: Base-Base interactions energy: -85.197 where: short stacking energy: -46.754 Base-Backbone interact. energy: -0.191 local terms energy: -61.863609 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -12.347 tors. eta vs tors. theta energy: -9.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -145.918211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.918211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.918211 (E_RNA) where: Base-Base interactions energy: -84.600 where: short stacking energy: -54.953 Base-Backbone interact. energy: -0.001 local terms energy: -61.317152 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.182 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -151.009988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.009988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.009988 (E_RNA) where: Base-Base interactions energy: -84.835 where: short stacking energy: -54.558 Base-Backbone interact. energy: -0.190 local terms energy: -65.985413 where: bonds (distance) C4'-P energy: -15.551 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -16.500 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -12.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -131.206424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.206424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.206424 (E_RNA) where: Base-Base interactions energy: -75.489 where: short stacking energy: -48.195 Base-Backbone interact. energy: -0.037 local terms energy: -55.680857 where: bonds (distance) C4'-P energy: -15.191 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -93.940193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.940193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.940193 (E_RNA) where: Base-Base interactions energy: -41.573 where: short stacking energy: -37.809 Base-Backbone interact. energy: -0.377 local terms energy: -51.990661 where: bonds (distance) C4'-P energy: -11.332 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -13.707 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -7.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -94.494826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.494826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.494826 (E_RNA) where: Base-Base interactions energy: -49.301 where: short stacking energy: -45.602 Base-Backbone interact. energy: -0.001 local terms energy: -45.193383 where: bonds (distance) C4'-P energy: -9.913 bonds (distance) P-C4' energy: -9.600 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -120.480994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.480994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.480994 (E_RNA) where: Base-Base interactions energy: -67.332 where: short stacking energy: -40.275 Base-Backbone interact. energy: -0.443 local terms energy: -52.706282 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -12.209 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -7.769 tors. eta vs tors. theta energy: -10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -80.337753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.337753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.337753 (E_RNA) where: Base-Base interactions energy: -32.676 where: short stacking energy: -32.676 Base-Backbone interact. energy: -0.051 local terms energy: -47.610219 where: bonds (distance) C4'-P energy: -14.902 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -9.131 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -91.803992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.803992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.803992 (E_RNA) where: Base-Base interactions energy: -42.709 where: short stacking energy: -42.709 Base-Backbone interact. energy: 1.651 local terms energy: -50.746217 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -10.996 flat angles C4'-P-C4' energy: -10.319 flat angles P-C4'-P energy: -7.632 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: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -72.486468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.486468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.486468 (E_RNA) where: Base-Base interactions energy: -25.369 where: short stacking energy: -18.454 Base-Backbone interact. energy: -0.046 local terms energy: -47.071060 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -1.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -162.307515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.307515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.307515 (E_RNA) where: Base-Base interactions energy: -95.681 where: short stacking energy: -64.411 Base-Backbone interact. energy: -0.002 local terms energy: -66.624966 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -10.189 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: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -157.583117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.583117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.583117 (E_RNA) where: Base-Base interactions energy: -94.831 where: short stacking energy: -59.037 Base-Backbone interact. energy: -0.040 local terms energy: -62.712119 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -13.241 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -9.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -144.940667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.940667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.940667 (E_RNA) where: Base-Base interactions energy: -86.178 where: short stacking energy: -55.956 Base-Backbone interact. energy: -0.534 local terms energy: -58.228213 where: bonds (distance) C4'-P energy: -10.488 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -12.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -104.569667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.569667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.569667 (E_RNA) where: Base-Base interactions energy: -49.320 where: short stacking energy: -49.320 Base-Backbone interact. energy: -0.000 local terms energy: -55.249928 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -9.967 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -11.656 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: 9 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -132.530799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.530799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.530799 (E_RNA) where: Base-Base interactions energy: -72.836 where: short stacking energy: -44.775 Base-Backbone interact. energy: -0.028 local terms energy: -59.667390 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -9.678 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -10.581 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: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -91.405276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.405276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.405276 (E_RNA) where: Base-Base interactions energy: -38.398 where: short stacking energy: -38.398 Base-Backbone interact. energy: -0.140 local terms energy: -52.866677 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -93.341230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.341230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.341230 (E_RNA) where: Base-Base interactions energy: -40.146 where: short stacking energy: -40.146 Base-Backbone interact. energy: -0.021 local terms energy: -53.174585 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -8.399 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: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -78.251407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.251407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.251407 (E_RNA) where: Base-Base interactions energy: -36.643 where: short stacking energy: -32.464 Base-Backbone interact. energy: -0.170 local terms energy: -41.438288 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -77.516065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.516065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.516065 (E_RNA) where: Base-Base interactions energy: -36.549 where: short stacking energy: -35.082 Base-Backbone interact. energy: -0.079 local terms energy: -40.888224 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -8.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -81.303658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.303658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.303658 (E_RNA) where: Base-Base interactions energy: -29.555 where: short stacking energy: -29.555 Base-Backbone interact. energy: -0.009 local terms energy: -51.739428 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -148.700947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.700947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.700947 (E_RNA) where: Base-Base interactions energy: -92.618 where: short stacking energy: -60.177 Base-Backbone interact. energy: -0.091 local terms energy: -55.992509 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -13.203 flat angles P-C4'-P energy: -6.776 tors. eta vs tors. theta energy: -8.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -164.290652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.290652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.290652 (E_RNA) where: Base-Base interactions energy: -97.011 where: short stacking energy: -62.541 Base-Backbone interact. energy: -0.168 local terms energy: -67.111462 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -13.412 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -17.276 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: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -151.149271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.149271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.149271 (E_RNA) where: Base-Base interactions energy: -92.205 where: short stacking energy: -59.941 Base-Backbone interact. energy: 0.878 local terms energy: -59.822203 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -12.550 flat angles C4'-P-C4' energy: -13.966 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -13.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -98.226342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.226342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.226342 (E_RNA) where: Base-Base interactions energy: -42.419 where: short stacking energy: -42.419 Base-Backbone interact. energy: -0.015 local terms energy: -55.792254 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.685 flat angles P-C4'-P energy: -9.434 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -97.225985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.225985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.225985 (E_RNA) where: Base-Base interactions energy: -52.636 where: short stacking energy: -52.636 Base-Backbone interact. energy: -0.015 local terms energy: -44.574666 where: bonds (distance) C4'-P energy: -10.650 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -12.969 flat angles P-C4'-P energy: 0.521 tors. eta vs tors. theta energy: -7.159 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: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -131.912024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.912024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.912024 (E_RNA) where: Base-Base interactions energy: -73.672 where: short stacking energy: -40.792 Base-Backbone interact. energy: -0.407 local terms energy: -57.832706 where: bonds (distance) C4'-P energy: -14.806 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -7.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -112.609887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.609887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.609887 (E_RNA) where: Base-Base interactions energy: -59.306 where: short stacking energy: -54.008 Base-Backbone interact. energy: 0.514 local terms energy: -53.817314 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -11.973 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -12.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -81.270727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.270727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.270727 (E_RNA) where: Base-Base interactions energy: -36.048 where: short stacking energy: -36.048 Base-Backbone interact. energy: -0.085 local terms energy: -45.138190 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -9.115 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -5.872 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: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -76.363479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.363479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.363479 (E_RNA) where: Base-Base interactions energy: -33.380 where: short stacking energy: -33.380 Base-Backbone interact. energy: -0.171 local terms energy: -42.812948 where: bonds (distance) C4'-P energy: -5.152 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -78.641458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.641458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.641458 (E_RNA) where: Base-Base interactions energy: -34.343 where: short stacking energy: -33.298 Base-Backbone interact. energy: -1.068 local terms energy: -43.230057 where: bonds (distance) C4'-P energy: -12.488 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -145.999378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.999378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.999378 (E_RNA) where: Base-Base interactions energy: -87.594 where: short stacking energy: -57.099 Base-Backbone interact. energy: 1.571 local terms energy: -59.976476 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: -11.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -150.543831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.543831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.543831 (E_RNA) where: Base-Base interactions energy: -92.216 where: short stacking energy: -59.302 Base-Backbone interact. energy: -0.547 local terms energy: -57.781056 where: bonds (distance) C4'-P energy: -14.814 bonds (distance) P-C4' energy: -11.983 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -9.148 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: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -149.931295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.931295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.931295 (E_RNA) where: Base-Base interactions energy: -85.779 where: short stacking energy: -52.632 Base-Backbone interact. energy: -0.403 local terms energy: -63.748788 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -124.389127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.389127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.389127 (E_RNA) where: Base-Base interactions energy: -65.832 where: short stacking energy: -52.441 Base-Backbone interact. energy: -0.029 local terms energy: -58.528063 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -11.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -100.758727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.758727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.758727 (E_RNA) where: Base-Base interactions energy: -46.638 where: short stacking energy: -44.257 Base-Backbone interact. energy: -0.033 local terms energy: -54.087547 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -2.269 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: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -132.200359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.200359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.200359 (E_RNA) where: Base-Base interactions energy: -77.102 where: short stacking energy: -48.064 Base-Backbone interact. energy: -0.294 local terms energy: -54.803968 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -9.794 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: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -93.360264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.360264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.360264 (E_RNA) where: Base-Base interactions energy: -52.236 where: short stacking energy: -28.206 Base-Backbone interact. energy: -0.065 local terms energy: -41.058375 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -10.709 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: 1.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -88.751130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.751130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.751130 (E_RNA) where: Base-Base interactions energy: -40.544 where: short stacking energy: -34.778 Base-Backbone interact. energy: 2.450 local terms energy: -50.657424 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -11.195 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -6.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -75.461582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.461582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.461582 (E_RNA) where: Base-Base interactions energy: -31.358 where: short stacking energy: -31.358 Base-Backbone interact. energy: -0.464 local terms energy: -43.639785 where: bonds (distance) C4'-P energy: -10.563 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -10.015 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -74.132408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.132408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.132408 (E_RNA) where: Base-Base interactions energy: -36.217 where: short stacking energy: -33.062 Base-Backbone interact. energy: -0.102 local terms energy: -37.813235 where: bonds (distance) C4'-P energy: -9.299 bonds (distance) P-C4' energy: -2.962 flat angles C4'-P-C4' energy: -10.208 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -4.368 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: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -151.488014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.488014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.488014 (E_RNA) where: Base-Base interactions energy: -85.706 where: short stacking energy: -60.660 Base-Backbone interact. energy: -0.095 local terms energy: -65.687032 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -14.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -136.473155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.473155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.473155 (E_RNA) where: Base-Base interactions energy: -79.903 where: short stacking energy: -47.901 Base-Backbone interact. energy: -0.012 local terms energy: -56.558507 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -8.187 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: 340 Temperature: 1.000000 Total energy: -132.588788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.588788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.588788 (E_RNA) where: Base-Base interactions energy: -76.287 where: short stacking energy: -45.754 Base-Backbone interact. energy: -0.057 local terms energy: -56.244361 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -10.589 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -13.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -107.282911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.282911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.282911 (E_RNA) where: Base-Base interactions energy: -51.362 where: short stacking energy: -49.554 Base-Backbone interact. energy: -0.300 local terms energy: -55.621303 where: bonds (distance) C4'-P energy: -13.813 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -12.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -132.559864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.559864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.559864 (E_RNA) where: Base-Base interactions energy: -84.837 where: short stacking energy: -53.910 Base-Backbone interact. energy: -0.746 local terms energy: -46.977087 where: bonds (distance) C4'-P energy: -10.162 bonds (distance) P-C4' energy: -8.135 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -8.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -122.401539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.401539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.401539 (E_RNA) where: Base-Base interactions energy: -69.093 where: short stacking energy: -41.746 Base-Backbone interact. energy: -0.123 local terms energy: -53.184715 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -11.258 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -10.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -85.628986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.628986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.628986 (E_RNA) where: Base-Base interactions energy: -36.837 where: short stacking energy: -36.837 Base-Backbone interact. energy: -0.024 local terms energy: -48.768091 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -11.648 flat angles C4'-P-C4' energy: -9.378 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -88.856438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.856438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.856438 (E_RNA) where: Base-Base interactions energy: -39.281 where: short stacking energy: -37.439 Base-Backbone interact. energy: -0.288 local terms energy: -49.286864 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -10.729 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -8.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -81.893899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.893899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.893899 (E_RNA) where: Base-Base interactions energy: -35.106 where: short stacking energy: -24.995 Base-Backbone interact. energy: -0.146 local terms energy: -46.641999 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -3.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -73.061275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.061275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.061275 (E_RNA) where: Base-Base interactions energy: -33.642 where: short stacking energy: -26.587 Base-Backbone interact. energy: -0.105 local terms energy: -39.314413 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -11.913 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -0.653 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: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -153.382663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.382663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.382663 (E_RNA) where: Base-Base interactions energy: -94.830 where: short stacking energy: -58.918 Base-Backbone interact. energy: -0.002 local terms energy: -58.550763 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -9.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -150.382901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.382901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.382901 (E_RNA) where: Base-Base interactions energy: -86.004 where: short stacking energy: -55.669 Base-Backbone interact. energy: -0.022 local terms energy: -64.356400 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -10.944 flat angles P-C4'-P energy: -9.518 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: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -138.244843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.244843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.244843 (E_RNA) where: Base-Base interactions energy: -81.434 where: short stacking energy: -51.517 Base-Backbone interact. energy: -0.053 local terms energy: -56.758334 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -14.981 flat angles P-C4'-P energy: -9.743 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: 4, replica: 9 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -132.128253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.128253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.128253 (E_RNA) where: Base-Base interactions energy: -77.577 where: short stacking energy: -45.317 Base-Backbone interact. energy: -0.199 local terms energy: -54.351943 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -11.808 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -101.494955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.494955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.494955 (E_RNA) where: Base-Base interactions energy: -50.924 where: short stacking energy: -50.924 Base-Backbone interact. energy: -0.007 local terms energy: -50.563493 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -8.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -129.061508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.061508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.061508 (E_RNA) where: Base-Base interactions energy: -75.752 where: short stacking energy: -50.120 Base-Backbone interact. energy: -0.111 local terms energy: -53.198204 where: bonds (distance) C4'-P energy: -7.366 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -8.073 tors. eta vs tors. theta energy: -12.426 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: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -85.528602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.528602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.528602 (E_RNA) where: Base-Base interactions energy: -35.716 where: short stacking energy: -30.882 Base-Backbone interact. energy: -0.019 local terms energy: -49.793428 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -12.088 flat angles C4'-P-C4' energy: -9.491 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -7.459 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: 5 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -88.029499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.029499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.029499 (E_RNA) where: Base-Base interactions energy: -36.851 where: short stacking energy: -36.851 Base-Backbone interact. energy: -0.170 local terms energy: -51.008937 where: bonds (distance) C4'-P energy: -14.052 bonds (distance) P-C4' energy: -8.341 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -81.169673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.169673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.169673 (E_RNA) where: Base-Base interactions energy: -38.955 where: short stacking energy: -29.404 Base-Backbone interact. energy: -0.205 local terms energy: -42.010029 where: bonds (distance) C4'-P energy: -8.411 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -9.910 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -77.062973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.062973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.062973 (E_RNA) where: Base-Base interactions energy: -35.878 where: short stacking energy: -35.878 Base-Backbone interact. energy: -0.133 local terms energy: -41.052929 where: bonds (distance) C4'-P energy: -9.010 bonds (distance) P-C4' energy: -8.793 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -158.871885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.871885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.871885 (E_RNA) where: Base-Base interactions energy: -91.158 where: short stacking energy: -61.373 Base-Backbone interact. energy: -0.062 local terms energy: -67.651030 where: bonds (distance) C4'-P energy: -13.900 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -14.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -149.606868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.606868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.606868 (E_RNA) where: Base-Base interactions energy: -93.721 where: short stacking energy: -55.976 Base-Backbone interact. energy: -0.007 local terms energy: -55.879016 where: bonds (distance) C4'-P energy: -10.704 bonds (distance) P-C4' energy: -10.800 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -11.881 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: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -138.810330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.810330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.810330 (E_RNA) where: Base-Base interactions energy: -78.268 where: short stacking energy: -48.965 Base-Backbone interact. energy: -0.121 local terms energy: -60.421536 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -139.859436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.859436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.859436 (E_RNA) where: Base-Base interactions energy: -83.110 where: short stacking energy: -55.916 Base-Backbone interact. energy: -0.003 local terms energy: -56.746488 where: bonds (distance) C4'-P energy: -11.718 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -7.363 tors. eta vs tors. theta energy: -10.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -122.261496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.261496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.261496 (E_RNA) where: Base-Base interactions energy: -66.396 where: short stacking energy: -39.039 Base-Backbone interact. energy: -0.139 local terms energy: -55.727223 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -9.252 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: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -99.880254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.880254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.880254 (E_RNA) where: Base-Base interactions energy: -45.169 where: short stacking energy: -40.840 Base-Backbone interact. energy: -0.179 local terms energy: -54.532662 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -12.304 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: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -88.518351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.518351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.518351 (E_RNA) where: Base-Base interactions energy: -35.175 where: short stacking energy: -35.175 Base-Backbone interact. energy: -0.053 local terms energy: -53.290898 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -85.260974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.260974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.260974 (E_RNA) where: Base-Base interactions energy: -40.820 where: short stacking energy: -35.485 Base-Backbone interact. energy: -0.312 local terms energy: -44.129151 where: bonds (distance) C4'-P energy: -9.548 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -73.794398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.794398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.794398 (E_RNA) where: Base-Base interactions energy: -34.642 where: short stacking energy: -29.723 Base-Backbone interact. energy: -0.385 local terms energy: -38.767325 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -2.528 flat angles C4'-P-C4' energy: -11.302 flat angles P-C4'-P energy: -9.124 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -79.880461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.880461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.880461 (E_RNA) where: Base-Base interactions energy: -31.503 where: short stacking energy: -31.503 Base-Backbone interact. energy: 0.938 local terms energy: -49.314787 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -156.193974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.193974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.193974 (E_RNA) where: Base-Base interactions energy: -94.238 where: short stacking energy: -59.944 Base-Backbone interact. energy: -0.058 local terms energy: -61.898251 where: bonds (distance) C4'-P energy: -9.404 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -16.356 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: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -166.057923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.057923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.057923 (E_RNA) where: Base-Base interactions energy: -104.893 where: short stacking energy: -60.160 Base-Backbone interact. energy: -0.081 local terms energy: -61.084590 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -16.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -132.247508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.247508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.247508 (E_RNA) where: Base-Base interactions energy: -82.804 where: short stacking energy: -43.284 Base-Backbone interact. energy: -0.041 local terms energy: -49.402615 where: bonds (distance) C4'-P energy: -12.053 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -6.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -141.875289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.875289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.875289 (E_RNA) where: Base-Base interactions energy: -81.270 where: short stacking energy: -48.334 Base-Backbone interact. energy: 1.149 local terms energy: -61.753894 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -11.258 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: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -123.266188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.266188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.266188 (E_RNA) where: Base-Base interactions energy: -77.145 where: short stacking energy: -51.125 Base-Backbone interact. energy: -0.317 local terms energy: -45.804045 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -7.019 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -110.621737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.621737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.621737 (E_RNA) where: Base-Base interactions energy: -59.830 where: short stacking energy: -46.785 Base-Backbone interact. energy: -0.449 local terms energy: -50.342871 where: bonds (distance) C4'-P energy: -4.944 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -10.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -88.646608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.646608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.646608 (E_RNA) where: Base-Base interactions energy: -36.661 where: short stacking energy: -27.705 Base-Backbone interact. energy: 0.563 local terms energy: -52.548857 where: bonds (distance) C4'-P energy: -10.508 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -81.478800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.478800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.478800 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -33.991 Base-Backbone interact. energy: -0.222 local terms energy: -46.703959 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -78.682189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.682189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.682189 (E_RNA) where: Base-Base interactions energy: -30.612 where: short stacking energy: -30.612 Base-Backbone interact. energy: -0.073 local terms energy: -47.997942 where: bonds (distance) C4'-P energy: -14.760 bonds (distance) P-C4' energy: -9.871 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -7.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -72.205644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.205644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.205644 (E_RNA) where: Base-Base interactions energy: -27.644 where: short stacking energy: -18.412 Base-Backbone interact. energy: -0.253 local terms energy: -44.308027 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -9.545 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: 0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -169.699500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.699500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.699500 (E_RNA) where: Base-Base interactions energy: -101.284 where: short stacking energy: -59.478 Base-Backbone interact. energy: 0.677 local terms energy: -69.092430 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -15.590 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -15.002 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: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -158.236868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.236868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.236868 (E_RNA) where: Base-Base interactions energy: -92.442 where: short stacking energy: -60.709 Base-Backbone interact. energy: 0.644 local terms energy: -66.438632 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -9.799 tors. eta vs tors. theta energy: -15.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -141.507122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.507122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.507122 (E_RNA) where: Base-Base interactions energy: -88.191 where: short stacking energy: -57.854 Base-Backbone interact. energy: -0.750 local terms energy: -52.565745 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -11.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -129.349145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.349145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.349145 (E_RNA) where: Base-Base interactions energy: -74.846 where: short stacking energy: -43.035 Base-Backbone interact. energy: -0.113 local terms energy: -54.390515 where: bonds (distance) C4'-P energy: -11.842 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -6.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -131.358230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.358230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.358230 (E_RNA) where: Base-Base interactions energy: -75.166 where: short stacking energy: -46.127 Base-Backbone interact. energy: -1.656 local terms energy: -54.535975 where: bonds (distance) C4'-P energy: -8.556 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -96.651719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.651719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.651719 (E_RNA) where: Base-Base interactions energy: -38.777 where: short stacking energy: -34.202 Base-Backbone interact. energy: -0.233 local terms energy: -57.641601 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -8.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -78.689342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.689342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.689342 (E_RNA) where: Base-Base interactions energy: -31.894 where: short stacking energy: -28.491 Base-Backbone interact. energy: -0.108 local terms energy: -46.687660 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -84.672719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.672719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.672719 (E_RNA) where: Base-Base interactions energy: -34.373 where: short stacking energy: -34.044 Base-Backbone interact. energy: -0.356 local terms energy: -49.943786 where: bonds (distance) C4'-P energy: -10.050 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -6.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -80.677577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.677577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.677577 (E_RNA) where: Base-Base interactions energy: -29.610 where: short stacking energy: -28.943 Base-Backbone interact. energy: -0.187 local terms energy: -50.880326 where: bonds (distance) C4'-P energy: -10.869 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -11.535 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -76.724247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.724247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.724247 (E_RNA) where: Base-Base interactions energy: -30.587 where: short stacking energy: -30.019 Base-Backbone interact. energy: -0.195 local terms energy: -45.942576 where: bonds (distance) C4'-P energy: -9.623 bonds (distance) P-C4' energy: -10.991 flat angles C4'-P-C4' energy: -11.149 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -7.887 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: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -173.399284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.399284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.399284 (E_RNA) where: Base-Base interactions energy: -110.718 where: short stacking energy: -65.609 Base-Backbone interact. energy: 0.000 local terms energy: -62.681241 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -15.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -143.668026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.668026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.668026 (E_RNA) where: Base-Base interactions energy: -81.718 where: short stacking energy: -53.852 Base-Backbone interact. energy: -0.011 local terms energy: -61.938785 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -12.997 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -9.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -150.913291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.913291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.913291 (E_RNA) where: Base-Base interactions energy: -90.044 where: short stacking energy: -59.385 Base-Backbone interact. energy: 0.208 local terms energy: -61.076420 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -15.618 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -14.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -133.844431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.844431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.844431 (E_RNA) where: Base-Base interactions energy: -80.878 where: short stacking energy: -45.272 Base-Backbone interact. energy: 0.322 local terms energy: -53.288596 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -11.070 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: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -143.487122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.487122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.487122 (E_RNA) where: Base-Base interactions energy: -84.636 where: short stacking energy: -58.096 Base-Backbone interact. energy: -0.067 local terms energy: -58.784095 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -8.419 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: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -92.725581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.725581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.725581 (E_RNA) where: Base-Base interactions energy: -39.883 where: short stacking energy: -39.883 Base-Backbone interact. energy: 0.055 local terms energy: -52.897355 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -10.845 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -99.007396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.007396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.007396 (E_RNA) where: Base-Base interactions energy: -46.195 where: short stacking energy: -46.195 Base-Backbone interact. energy: -0.039 local terms energy: -52.772912 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -8.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -80.713590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.713590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.713590 (E_RNA) where: Base-Base interactions energy: -31.061 where: short stacking energy: -24.381 Base-Backbone interact. energy: -0.084 local terms energy: -49.568534 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -9.007 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -76.089171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.089171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.089171 (E_RNA) where: Base-Base interactions energy: -33.217 where: short stacking energy: -30.800 Base-Backbone interact. energy: -0.101 local terms energy: -42.770911 where: bonds (distance) C4'-P energy: -7.984 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -5.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -87.572853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.572853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.572853 (E_RNA) where: Base-Base interactions energy: -42.923 where: short stacking energy: -37.988 Base-Backbone interact. energy: -0.777 local terms energy: -43.873238 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -169.034074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.034074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.034074 (E_RNA) where: Base-Base interactions energy: -104.799 where: short stacking energy: -56.360 Base-Backbone interact. energy: -0.174 local terms energy: -64.061111 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -16.042 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -7.520 tors. eta vs tors. theta energy: -14.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -145.580178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.580178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.580178 (E_RNA) where: Base-Base interactions energy: -91.962 where: short stacking energy: -57.315 Base-Backbone interact. energy: 0.402 local terms energy: -54.020137 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -10.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -139.687547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.687547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.687547 (E_RNA) where: Base-Base interactions energy: -82.053 where: short stacking energy: -51.621 Base-Backbone interact. energy: -0.209 local terms energy: -57.425889 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -12.750 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -8.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -152.611325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.611325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.611325 (E_RNA) where: Base-Base interactions energy: -88.046 where: short stacking energy: -59.044 Base-Backbone interact. energy: 0.346 local terms energy: -64.911100 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -10.185 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: 5, replica: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -109.502397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.502397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.502397 (E_RNA) where: Base-Base interactions energy: -57.328 where: short stacking energy: -44.026 Base-Backbone interact. energy: -0.226 local terms energy: -51.948766 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -8.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -110.148508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.148508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.148508 (E_RNA) where: Base-Base interactions energy: -56.165 where: short stacking energy: -30.861 Base-Backbone interact. energy: -0.164 local terms energy: -53.819298 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -7.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -89.762064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.762064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.762064 (E_RNA) where: Base-Base interactions energy: -38.673 where: short stacking energy: -38.673 Base-Backbone interact. energy: -0.149 local terms energy: -50.940138 where: bonds (distance) C4'-P energy: -11.142 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -10.458 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -85.008243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.008243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.008243 (E_RNA) where: Base-Base interactions energy: -39.400 where: short stacking energy: -34.785 Base-Backbone interact. energy: -0.358 local terms energy: -45.249788 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -12.030 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -8.372 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -77.977471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.977471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.977471 (E_RNA) where: Base-Base interactions energy: -41.127 where: short stacking energy: -41.127 Base-Backbone interact. energy: -0.225 local terms energy: -36.625811 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -10.971 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -77.753188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.753188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.753188 (E_RNA) where: Base-Base interactions energy: -40.640 where: short stacking energy: -33.587 Base-Backbone interact. energy: -0.053 local terms energy: -37.060353 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -9.448 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: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -162.273296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.273296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.273296 (E_RNA) where: Base-Base interactions energy: -99.334 where: short stacking energy: -56.060 Base-Backbone interact. energy: -0.432 local terms energy: -62.507434 where: bonds (distance) C4'-P energy: -15.055 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -9.682 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: 2, replica: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -153.250707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.250707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.250707 (E_RNA) where: Base-Base interactions energy: -94.851 where: short stacking energy: -56.238 Base-Backbone interact. energy: -0.001 local terms energy: -58.399572 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -13.276 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -149.207863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.207863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.207863 (E_RNA) where: Base-Base interactions energy: -92.456 where: short stacking energy: -54.427 Base-Backbone interact. energy: -0.100 local terms energy: -56.651430 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -10.201 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: 4, replica: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -159.721608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.721608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.721608 (E_RNA) where: Base-Base interactions energy: -97.735 where: short stacking energy: -58.041 Base-Backbone interact. energy: -0.001 local terms energy: -61.985502 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -7.228 tors. eta vs tors. theta energy: -16.828 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: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -109.186280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.186280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.186280 (E_RNA) where: Base-Base interactions energy: -52.098 where: short stacking energy: -52.098 Base-Backbone interact. energy: -0.057 local terms energy: -57.031565 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -11.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -125.887735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.887735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.887735 (E_RNA) where: Base-Base interactions energy: -73.103 where: short stacking energy: -46.544 Base-Backbone interact. energy: -0.085 local terms energy: -52.699909 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -8.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -99.163245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.163245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.163245 (E_RNA) where: Base-Base interactions energy: -42.326 where: short stacking energy: -40.491 Base-Backbone interact. energy: -0.711 local terms energy: -56.127161 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -10.491 flat angles P-C4'-P energy: -8.159 tors. eta vs tors. theta energy: -9.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -88.240493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.240493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.240493 (E_RNA) where: Base-Base interactions energy: -45.370 where: short stacking energy: -39.270 Base-Backbone interact. energy: -0.092 local terms energy: -42.778283 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -8.089 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -6.398 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -77.697566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.697566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.697566 (E_RNA) where: Base-Base interactions energy: -35.288 where: short stacking energy: -35.288 Base-Backbone interact. energy: -0.138 local terms energy: -42.270696 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -9.950 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: 0.130 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: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -66.674638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.674638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.674638 (E_RNA) where: Base-Base interactions energy: -38.415 where: short stacking energy: -32.455 Base-Backbone interact. energy: 0.954 local terms energy: -29.213760 where: bonds (distance) C4'-P energy: -6.547 bonds (distance) P-C4' energy: -10.732 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -6.025 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: 8 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -140.921512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.921512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.921512 (E_RNA) where: Base-Base interactions energy: -82.141 where: short stacking energy: -47.186 Base-Backbone interact. energy: -0.043 local terms energy: -58.737245 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -8.625 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: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -149.584547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.584547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.584547 (E_RNA) where: Base-Base interactions energy: -89.923 where: short stacking energy: -57.595 Base-Backbone interact. energy: -0.064 local terms energy: -59.598159 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -13.593 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: 6 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -150.820639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.820639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.820639 (E_RNA) where: Base-Base interactions energy: -95.121 where: short stacking energy: -56.111 Base-Backbone interact. energy: 1.494 local terms energy: -57.193787 where: bonds (distance) C4'-P energy: -9.730 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -15.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -146.997420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.997420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.997420 (E_RNA) where: Base-Base interactions energy: -82.974 where: short stacking energy: -49.589 Base-Backbone interact. energy: -0.090 local terms energy: -63.933680 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -10.292 tors. eta vs tors. theta energy: -14.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -136.340268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.340268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.340268 (E_RNA) where: Base-Base interactions energy: -80.771 where: short stacking energy: -46.374 Base-Backbone interact. energy: -1.022 local terms energy: -54.547361 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -12.354 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -10.836 tors. eta vs tors. theta energy: -10.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -94.068370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.068370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.068370 (E_RNA) where: Base-Base interactions energy: -40.105 where: short stacking energy: -39.967 Base-Backbone interact. energy: -0.560 local terms energy: -53.403546 where: bonds (distance) C4'-P energy: -10.186 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -10.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -96.401764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.401764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.401764 (E_RNA) where: Base-Base interactions energy: -45.968 where: short stacking energy: -33.614 Base-Backbone interact. energy: 0.220 local terms energy: -50.654214 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -9.852 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: 348 Temperature: 1.250000 Total energy: -83.664026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.664026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.664026 (E_RNA) where: Base-Base interactions energy: -36.508 where: short stacking energy: -36.508 Base-Backbone interact. energy: -0.095 local terms energy: -47.061876 where: bonds (distance) C4'-P energy: -8.381 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -73.878952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.878952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.878952 (E_RNA) where: Base-Base interactions energy: -34.270 where: short stacking energy: -28.360 Base-Backbone interact. energy: -0.229 local terms energy: -39.380195 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -8.409 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -84.799463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.799463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.799463 (E_RNA) where: Base-Base interactions energy: -45.181 where: short stacking energy: -31.487 Base-Backbone interact. energy: -0.044 local terms energy: -39.575040 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -8.688 flat angles C4'-P-C4' energy: -9.092 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -2.953 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: 8 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -153.739014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.739014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.739014 (E_RNA) where: Base-Base interactions energy: -88.578 where: short stacking energy: -56.347 Base-Backbone interact. energy: -0.126 local terms energy: -65.034671 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -15.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -152.137109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.137109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.137109 (E_RNA) where: Base-Base interactions energy: -95.110 where: short stacking energy: -54.127 Base-Backbone interact. energy: -0.210 local terms energy: -56.817387 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -14.734 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -8.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -139.147850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.147850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.147850 (E_RNA) where: Base-Base interactions energy: -84.079 where: short stacking energy: -52.726 Base-Backbone interact. energy: 0.574 local terms energy: -55.643340 where: bonds (distance) C4'-P energy: -14.636 bonds (distance) P-C4' energy: -11.576 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -12.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -131.292892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.292892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.292892 (E_RNA) where: Base-Base interactions energy: -74.644 where: short stacking energy: -46.637 Base-Backbone interact. energy: -0.126 local terms energy: -56.522236 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -11.524 flat angles P-C4'-P energy: -11.691 tors. eta vs tors. theta energy: -7.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -151.265005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.265005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.265005 (E_RNA) where: Base-Base interactions energy: -92.213 where: short stacking energy: -48.391 Base-Backbone interact. energy: -0.229 local terms energy: -58.822393 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -11.908 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: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -87.543307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.543307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.543307 (E_RNA) where: Base-Base interactions energy: -45.089 where: short stacking energy: -45.089 Base-Backbone interact. energy: -0.003 local terms energy: -42.451630 where: bonds (distance) C4'-P energy: -8.832 bonds (distance) P-C4' energy: -9.576 flat angles C4'-P-C4' energy: -8.861 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -7.159 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: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -84.559336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.559336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.559336 (E_RNA) where: Base-Base interactions energy: -37.687 where: short stacking energy: -32.121 Base-Backbone interact. energy: -0.125 local terms energy: -46.746886 where: bonds (distance) C4'-P energy: -8.037 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -7.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -82.873727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.873727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.873727 (E_RNA) where: Base-Base interactions energy: -44.231 where: short stacking energy: -25.816 Base-Backbone interact. energy: -0.335 local terms energy: -38.308225 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -12.346 flat angles C4'-P-C4' energy: -11.969 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -1.341 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: 9, replica: 4 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -84.054383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.054383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.054383 (E_RNA) where: Base-Base interactions energy: -34.676 where: short stacking energy: -34.676 Base-Backbone interact. energy: -0.161 local terms energy: -49.217751 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -6.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -81.366537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.366537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.366537 (E_RNA) where: Base-Base interactions energy: -34.122 where: short stacking energy: -31.449 Base-Backbone interact. energy: -0.001 local terms energy: -47.242912 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -161.580194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.580194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.580194 (E_RNA) where: Base-Base interactions energy: -94.857 where: short stacking energy: -62.057 Base-Backbone interact. energy: -0.003 local terms energy: -66.720775 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -13.323 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: 350 Temperature: 0.950000 Total energy: -162.226801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.226801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.226801 (E_RNA) where: Base-Base interactions energy: -97.638 where: short stacking energy: -57.797 Base-Backbone interact. energy: -0.553 local terms energy: -64.036074 where: bonds (distance) C4'-P energy: -12.749 bonds (distance) P-C4' energy: -12.904 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -11.109 tors. eta vs tors. theta energy: -13.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -129.523964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.523964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.523964 (E_RNA) where: Base-Base interactions energy: -77.436 where: short stacking energy: -48.116 Base-Backbone interact. energy: -0.001 local terms energy: -52.086996 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -13.143 flat angles C4'-P-C4' energy: -14.699 flat angles P-C4'-P energy: -0.953 tors. eta vs tors. theta energy: -12.973 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: 4, replica: 9 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -137.000477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.000477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.000477 (E_RNA) where: Base-Base interactions energy: -83.841 where: short stacking energy: -47.298 Base-Backbone interact. energy: -0.597 local terms energy: -52.562054 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -8.942 tors. eta vs tors. theta energy: -8.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -134.195432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.195432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.195432 (E_RNA) where: Base-Base interactions energy: -76.541 where: short stacking energy: -44.349 Base-Backbone interact. energy: -0.781 local terms energy: -56.874409 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -11.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -89.012722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.012722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.012722 (E_RNA) where: Base-Base interactions energy: -38.012 where: short stacking energy: -38.012 Base-Backbone interact. energy: -0.167 local terms energy: -50.833356 where: bonds (distance) C4'-P energy: -8.096 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -85.209087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.209087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.209087 (E_RNA) where: Base-Base interactions energy: -42.191 where: short stacking energy: -24.843 Base-Backbone interact. energy: -0.121 local terms energy: -42.897814 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -84.954953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.954953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.954953 (E_RNA) where: Base-Base interactions energy: -41.099 where: short stacking energy: -37.308 Base-Backbone interact. energy: -0.271 local terms energy: -43.584609 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -5.693 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: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -73.829106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.829106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.829106 (E_RNA) where: Base-Base interactions energy: -33.946 where: short stacking energy: -30.022 Base-Backbone interact. energy: -0.026 local terms energy: -39.857287 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -10.443 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -1.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -80.998748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.998748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.998748 (E_RNA) where: Base-Base interactions energy: -38.423 where: short stacking energy: -37.572 Base-Backbone interact. energy: -0.001 local terms energy: -42.574949 where: bonds (distance) C4'-P energy: -9.300 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -9.173 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -6.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -149.155455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.155455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.155455 (E_RNA) where: Base-Base interactions energy: -86.337 where: short stacking energy: -57.470 Base-Backbone interact. energy: 0.723 local terms energy: -63.540581 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -11.669 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: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -158.630092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.630092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.630092 (E_RNA) where: Base-Base interactions energy: -91.957 where: short stacking energy: -55.413 Base-Backbone interact. energy: -0.039 local terms energy: -66.634192 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -9.831 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: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -146.263646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.263646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.263646 (E_RNA) where: Base-Base interactions energy: -82.206 where: short stacking energy: -48.985 Base-Backbone interact. energy: -0.030 local terms energy: -64.026882 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -11.355 tors. eta vs tors. theta energy: -13.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -148.471566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.471566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.471566 (E_RNA) where: Base-Base interactions energy: -94.665 where: short stacking energy: -59.096 Base-Backbone interact. energy: -0.101 local terms energy: -53.705977 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -7.475 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -17.178 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: 9 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -109.908978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.908978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.908978 (E_RNA) where: Base-Base interactions energy: -63.727 where: short stacking energy: -34.559 Base-Backbone interact. energy: -0.034 local terms energy: -46.148123 where: bonds (distance) C4'-P energy: -7.806 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -7.110 tors. eta vs tors. theta energy: -4.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -95.035652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.035652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.035652 (E_RNA) where: Base-Base interactions energy: -46.105 where: short stacking energy: -35.580 Base-Backbone interact. energy: 2.115 local terms energy: -51.045098 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -10.387 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -6.659 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: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -92.836410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.836410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.836410 (E_RNA) where: Base-Base interactions energy: -44.486 where: short stacking energy: -39.048 Base-Backbone interact. energy: -0.071 local terms energy: -48.280008 where: bonds (distance) C4'-P energy: -13.890 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -9.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -83.708584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.708584 (E_RNA) where: Base-Base interactions energy: -37.298 where: short stacking energy: -27.639 Base-Backbone interact. energy: -0.093 local terms energy: -46.317928 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -0.063 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: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -82.282782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.282782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.282782 (E_RNA) where: Base-Base interactions energy: -35.758 where: short stacking energy: -33.729 Base-Backbone interact. energy: -0.299 local terms energy: -46.225125 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -90.312071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.312071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.312071 (E_RNA) where: Base-Base interactions energy: -46.651 where: short stacking energy: -35.970 Base-Backbone interact. energy: -0.128 local terms energy: -43.533058 where: bonds (distance) C4'-P energy: -10.008 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -151.683391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.683391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.683391 (E_RNA) where: Base-Base interactions energy: -92.559 where: short stacking energy: -53.642 Base-Backbone interact. energy: -0.003 local terms energy: -59.121221 where: bonds (distance) C4'-P energy: -10.268 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -10.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -164.100414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.100414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.100414 (E_RNA) where: Base-Base interactions energy: -101.309 where: short stacking energy: -58.615 Base-Backbone interact. energy: -0.007 local terms energy: -62.784471 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -10.765 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: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -144.585171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.585171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.585171 (E_RNA) where: Base-Base interactions energy: -86.508 where: short stacking energy: -52.395 Base-Backbone interact. energy: -0.094 local terms energy: -57.983139 where: bonds (distance) C4'-P energy: -10.641 bonds (distance) P-C4' energy: -9.684 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -10.412 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: 4, replica: 5 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -130.280174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.280174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.280174 (E_RNA) where: Base-Base interactions energy: -71.341 where: short stacking energy: -37.552 Base-Backbone interact. energy: 0.890 local terms energy: -59.828394 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -9.274 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: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -101.993176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.993176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.993176 (E_RNA) where: Base-Base interactions energy: -43.521 where: short stacking energy: -43.029 Base-Backbone interact. energy: -0.009 local terms energy: -58.462637 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -10.474 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: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -85.482571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.482571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.482571 (E_RNA) where: Base-Base interactions energy: -28.650 where: short stacking energy: -28.650 Base-Backbone interact. energy: -0.130 local terms energy: -56.702207 where: bonds (distance) C4'-P energy: -14.893 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -82.885291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.885291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.885291 (E_RNA) where: Base-Base interactions energy: -37.982 where: short stacking energy: -36.323 Base-Backbone interact. energy: -0.000 local terms energy: -44.903109 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -85.458670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.458670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.458670 (E_RNA) where: Base-Base interactions energy: -40.027 where: short stacking energy: -30.129 Base-Backbone interact. energy: -0.348 local terms energy: -45.083858 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -8.822 tors. eta vs tors. theta energy: 1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -75.212809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.212809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.212809 (E_RNA) where: Base-Base interactions energy: -29.765 where: short stacking energy: -28.580 Base-Backbone interact. energy: -0.034 local terms energy: -45.414138 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -12.022 flat angles C4'-P-C4' energy: -9.452 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -88.565869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.565869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.565869 (E_RNA) where: Base-Base interactions energy: -31.668 where: short stacking energy: -31.668 Base-Backbone interact. energy: -0.623 local terms energy: -56.275299 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -6.733 tors. eta vs tors. theta energy: -9.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -148.964938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.964938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.964938 (E_RNA) where: Base-Base interactions energy: -87.688 where: short stacking energy: -56.717 Base-Backbone interact. energy: -0.006 local terms energy: -61.271613 where: bonds (distance) C4'-P energy: -13.924 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -12.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -161.406413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.406413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.406413 (E_RNA) where: Base-Base interactions energy: -95.642 where: short stacking energy: -56.029 Base-Backbone interact. energy: -0.088 local terms energy: -65.675607 where: bonds (distance) C4'-P energy: -14.931 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -15.490 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: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -151.135530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.135530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.135530 (E_RNA) where: Base-Base interactions energy: -91.260 where: short stacking energy: -54.049 Base-Backbone interact. energy: -0.933 local terms energy: -58.942299 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -13.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -132.312111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.312111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.312111 (E_RNA) where: Base-Base interactions energy: -78.575 where: short stacking energy: -53.137 Base-Backbone interact. energy: -0.064 local terms energy: -53.673100 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -14.086 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -10.082 tors. eta vs tors. theta energy: -8.312 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: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -97.921356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.921356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.921356 (E_RNA) where: Base-Base interactions energy: -47.869 where: short stacking energy: -47.869 Base-Backbone interact. energy: 0.613 local terms energy: -50.665198 where: bonds (distance) C4'-P energy: -8.725 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -7.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -94.776983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.776983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.776983 (E_RNA) where: Base-Base interactions energy: -52.099 where: short stacking energy: -39.235 Base-Backbone interact. energy: -0.015 local terms energy: -42.662915 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -10.009 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -0.638 tors. eta vs tors. theta energy: -9.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -84.838405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.838405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.838405 (E_RNA) where: Base-Base interactions energy: -37.959 where: short stacking energy: -36.673 Base-Backbone interact. energy: -0.565 local terms energy: -46.313500 where: bonds (distance) C4'-P energy: -10.910 bonds (distance) P-C4' energy: -9.762 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -87.860035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.860035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.860035 (E_RNA) where: Base-Base interactions energy: -36.093 where: short stacking energy: -31.148 Base-Backbone interact. energy: -0.022 local terms energy: -51.745348 where: bonds (distance) C4'-P energy: -11.921 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: -7.616 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: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -74.338928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.338928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.338928 (E_RNA) where: Base-Base interactions energy: -32.470 where: short stacking energy: -29.394 Base-Backbone interact. energy: -0.268 local terms energy: -41.600613 where: bonds (distance) C4'-P energy: -9.701 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -76.817876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.817876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.817876 (E_RNA) where: Base-Base interactions energy: -33.434 where: short stacking energy: -24.679 Base-Backbone interact. energy: -0.122 local terms energy: -43.262244 where: bonds (distance) C4'-P energy: -6.576 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -159.819277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.819277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.819277 (E_RNA) where: Base-Base interactions energy: -97.692 where: short stacking energy: -57.296 Base-Backbone interact. energy: -0.001 local terms energy: -62.126247 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -15.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -146.525111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.525111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.525111 (E_RNA) where: Base-Base interactions energy: -84.076 where: short stacking energy: -58.239 Base-Backbone interact. energy: -0.230 local terms energy: -62.219045 where: bonds (distance) C4'-P energy: -11.486 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -8.350 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: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -157.221963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.221963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.221963 (E_RNA) where: Base-Base interactions energy: -94.297 where: short stacking energy: -56.175 Base-Backbone interact. energy: -0.019 local terms energy: -62.905987 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -8.786 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: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -135.833475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.833475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.833475 (E_RNA) where: Base-Base interactions energy: -77.103 where: short stacking energy: -51.209 Base-Backbone interact. energy: -0.666 local terms energy: -58.065060 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -112.476650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.476650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.476650 (E_RNA) where: Base-Base interactions energy: -52.607 where: short stacking energy: -52.607 Base-Backbone interact. energy: -0.017 local terms energy: -59.852212 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -13.036 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -14.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -97.183517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.183517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.183517 (E_RNA) where: Base-Base interactions energy: -43.550 where: short stacking energy: -42.722 Base-Backbone interact. energy: 0.632 local terms energy: -54.265718 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -11.177 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -9.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -85.669959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.669959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.669959 (E_RNA) where: Base-Base interactions energy: -34.455 where: short stacking energy: -34.455 Base-Backbone interact. energy: -0.038 local terms energy: -51.176625 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -9.688 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -4.614 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: 8, replica: 10 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -70.348082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.348082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.348082 (E_RNA) where: Base-Base interactions energy: -25.610 where: short stacking energy: -25.610 Base-Backbone interact. energy: -0.015 local terms energy: -44.723457 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -9.613 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -113.546038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.546038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.546038 (E_RNA) where: Base-Base interactions energy: -60.134 where: short stacking energy: -32.187 Base-Backbone interact. energy: -0.042 local terms energy: -53.370134 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -8.111 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: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -98.269809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.269809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.269809 (E_RNA) where: Base-Base interactions energy: -45.865 where: short stacking energy: -39.600 Base-Backbone interact. energy: -0.027 local terms energy: -52.377973 where: bonds (distance) C4'-P energy: -7.146 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -8.213 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: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -159.098441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.098441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.098441 (E_RNA) where: Base-Base interactions energy: -94.225 where: short stacking energy: -53.584 Base-Backbone interact. energy: -0.001 local terms energy: -64.872319 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -12.945 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -14.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -148.704591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.704591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.704591 (E_RNA) where: Base-Base interactions energy: -91.383 where: short stacking energy: -61.102 Base-Backbone interact. energy: 0.103 local terms energy: -57.424081 where: bonds (distance) C4'-P energy: -11.295 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -10.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -141.485272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.485272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.485272 (E_RNA) where: Base-Base interactions energy: -82.558 where: short stacking energy: -51.883 Base-Backbone interact. energy: -0.057 local terms energy: -58.871054 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -6.666 tors. eta vs tors. theta energy: -12.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -136.453049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.453049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.453049 (E_RNA) where: Base-Base interactions energy: -81.896 where: short stacking energy: -52.067 Base-Backbone interact. energy: -0.165 local terms energy: -54.392072 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -6.459 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: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -121.630096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.630096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.630096 (E_RNA) where: Base-Base interactions energy: -58.505 where: short stacking energy: -58.505 Base-Backbone interact. energy: 0.334 local terms energy: -63.459399 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -12.021 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: 7 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -92.444970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.444970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.444970 (E_RNA) where: Base-Base interactions energy: -45.124 where: short stacking energy: -45.124 Base-Backbone interact. energy: -0.143 local terms energy: -47.178045 where: bonds (distance) C4'-P energy: -6.770 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -6.689 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -89.975457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.975457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.975457 (E_RNA) where: Base-Base interactions energy: -38.477 where: short stacking energy: -37.292 Base-Backbone interact. energy: -0.138 local terms energy: -51.360843 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -11.993 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -112.993272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.993272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.993272 (E_RNA) where: Base-Base interactions energy: -66.471 where: short stacking energy: -32.060 Base-Backbone interact. energy: -0.769 local terms energy: -45.753503 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -10.672 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -92.364946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.364946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.364946 (E_RNA) where: Base-Base interactions energy: -45.193 where: short stacking energy: -39.481 Base-Backbone interact. energy: -1.148 local terms energy: -46.024123 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -9.874 flat angles C4'-P-C4' energy: -9.445 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -10.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -71.176358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.176358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.176358 (E_RNA) where: Base-Base interactions energy: -27.680 where: short stacking energy: -23.999 Base-Backbone interact. energy: -0.007 local terms energy: -43.489630 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -10.275 flat angles C4'-P-C4' energy: -10.278 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -157.499685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.499685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.499685 (E_RNA) where: Base-Base interactions energy: -102.564 where: short stacking energy: -57.858 Base-Backbone interact. energy: -0.012 local terms energy: -54.923198 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -11.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -147.666484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.666484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.666484 (E_RNA) where: Base-Base interactions energy: -84.953 where: short stacking energy: -52.927 Base-Backbone interact. energy: -0.055 local terms energy: -62.658318 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -9.491 tors. eta vs tors. theta energy: -11.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -143.334128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.334128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.334128 (E_RNA) where: Base-Base interactions energy: -84.771 where: short stacking energy: -49.364 Base-Backbone interact. energy: -0.830 local terms energy: -57.732513 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -8.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -137.623923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.623923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.623923 (E_RNA) where: Base-Base interactions energy: -81.522 where: short stacking energy: -51.359 Base-Backbone interact. energy: -0.083 local terms energy: -56.018486 where: bonds (distance) C4'-P energy: -12.756 bonds (distance) P-C4' energy: -14.903 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -9.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -103.411611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.411611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.411611 (E_RNA) where: Base-Base interactions energy: -46.071 where: short stacking energy: -46.071 Base-Backbone interact. energy: -0.092 local terms energy: -57.248779 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -11.481 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -10.888 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: 6, replica: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -97.915135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.915135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.915135 (E_RNA) where: Base-Base interactions energy: -42.838 where: short stacking energy: -40.850 Base-Backbone interact. energy: -0.013 local terms energy: -55.063850 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: -8.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -127.243061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.243061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.243061 (E_RNA) where: Base-Base interactions energy: -73.261 where: short stacking energy: -43.489 Base-Backbone interact. energy: -0.156 local terms energy: -53.826345 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -10.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -90.310062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.310062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.310062 (E_RNA) where: Base-Base interactions energy: -41.688 where: short stacking energy: -34.527 Base-Backbone interact. energy: -0.089 local terms energy: -48.532906 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -14.673 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -3.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -72.235104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.235104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.235104 (E_RNA) where: Base-Base interactions energy: -29.564 where: short stacking energy: -29.564 Base-Backbone interact. energy: -0.197 local terms energy: -42.474667 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -10.973 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -4.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -69.956305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.956305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.956305 (E_RNA) where: Base-Base interactions energy: -29.055 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.053 local terms energy: -40.848147 where: bonds (distance) C4'-P energy: -12.339 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: 1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -156.759112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.759112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.759112 (E_RNA) where: Base-Base interactions energy: -100.703 where: short stacking energy: -53.062 Base-Backbone interact. energy: -0.070 local terms energy: -55.986822 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -10.106 flat angles C4'-P-C4' energy: -16.006 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -12.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -155.905490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.905490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.905490 (E_RNA) where: Base-Base interactions energy: -94.941 where: short stacking energy: -61.775 Base-Backbone interact. energy: -0.618 local terms energy: -60.346108 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -12.915 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: 357 Temperature: 1.000000 Total energy: -138.039617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.039617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.039617 (E_RNA) where: Base-Base interactions energy: -84.569 where: short stacking energy: -47.377 Base-Backbone interact. energy: -0.245 local terms energy: -53.225999 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -8.543 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: 357 Temperature: 1.050000 Total energy: -144.395294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.395294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.395294 (E_RNA) where: Base-Base interactions energy: -86.974 where: short stacking energy: -55.004 Base-Backbone interact. energy: -0.338 local terms energy: -57.083146 where: bonds (distance) C4'-P energy: -13.846 bonds (distance) P-C4' energy: -10.530 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -8.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -112.767234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.767234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.767234 (E_RNA) where: Base-Base interactions energy: -52.651 where: short stacking energy: -52.651 Base-Backbone interact. energy: -0.003 local terms energy: -60.113928 where: bonds (distance) C4'-P energy: -13.249 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -10.605 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -13.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -126.079209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.079209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.079209 (E_RNA) where: Base-Base interactions energy: -76.874 where: short stacking energy: -48.136 Base-Backbone interact. energy: 0.018 local terms energy: -49.223492 where: bonds (distance) C4'-P energy: -10.178 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -8.971 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: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -75.770916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.770916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.770916 (E_RNA) where: Base-Base interactions energy: -30.268 where: short stacking energy: -26.373 Base-Backbone interact. energy: -0.062 local terms energy: -45.441667 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -85.029556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.029556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.029556 (E_RNA) where: Base-Base interactions energy: -36.061 where: short stacking energy: -35.229 Base-Backbone interact. energy: -0.120 local terms energy: -48.849003 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -4.471 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: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -79.410037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.410037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.410037 (E_RNA) where: Base-Base interactions energy: -37.689 where: short stacking energy: -32.607 Base-Backbone interact. energy: 0.245 local terms energy: -41.965899 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -10.353 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -6.994 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: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -78.700507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.700507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.700507 (E_RNA) where: Base-Base interactions energy: -40.302 where: short stacking energy: -40.302 Base-Backbone interact. energy: -0.074 local terms energy: -38.324567 where: bonds (distance) C4'-P energy: -10.564 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -155.736205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.736205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.736205 (E_RNA) where: Base-Base interactions energy: -89.769 where: short stacking energy: -54.423 Base-Backbone interact. energy: -0.001 local terms energy: -65.966311 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -164.715154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.715154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.715154 (E_RNA) where: Base-Base interactions energy: -98.787 where: short stacking energy: -60.063 Base-Backbone interact. energy: -0.297 local terms energy: -65.631497 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -11.187 tors. eta vs tors. theta energy: -13.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -145.061723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.061723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.061723 (E_RNA) where: Base-Base interactions energy: -89.799 where: short stacking energy: -56.199 Base-Backbone interact. energy: 0.280 local terms energy: -55.542916 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -11.907 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -14.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -136.525822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.525822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.525822 (E_RNA) where: Base-Base interactions energy: -82.601 where: short stacking energy: -50.440 Base-Backbone interact. energy: -0.370 local terms energy: -53.555223 where: bonds (distance) C4'-P energy: -9.572 bonds (distance) P-C4' energy: -10.668 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -11.584 tors. eta vs tors. theta energy: -11.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -142.799882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.799882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.799882 (E_RNA) where: Base-Base interactions energy: -82.249 where: short stacking energy: -45.401 Base-Backbone interact. energy: -0.093 local terms energy: -60.457880 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -11.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -80.207867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.207867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.207867 (E_RNA) where: Base-Base interactions energy: -39.008 where: short stacking energy: -35.865 Base-Backbone interact. energy: -0.004 local terms energy: -41.195846 where: bonds (distance) C4'-P energy: -9.644 bonds (distance) P-C4' energy: -7.617 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -100.437437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.437437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.437437 (E_RNA) where: Base-Base interactions energy: -50.312 where: short stacking energy: -50.312 Base-Backbone interact. energy: -0.045 local terms energy: -50.080552 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -10.529 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: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -93.938853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.938853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.938853 (E_RNA) where: Base-Base interactions energy: -39.706 where: short stacking energy: -39.706 Base-Backbone interact. energy: -0.000 local terms energy: -54.232451 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -8.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -74.869893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.869893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.869893 (E_RNA) where: Base-Base interactions energy: -28.917 where: short stacking energy: -28.917 Base-Backbone interact. energy: -0.102 local terms energy: -45.850747 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -6.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -73.474202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.474202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.474202 (E_RNA) where: Base-Base interactions energy: -32.214 where: short stacking energy: -30.308 Base-Backbone interact. energy: -0.097 local terms energy: -41.162521 where: bonds (distance) C4'-P energy: -9.007 bonds (distance) P-C4' energy: -9.264 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -155.200483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.200483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.200483 (E_RNA) where: Base-Base interactions energy: -89.719 where: short stacking energy: -56.238 Base-Backbone interact. energy: -0.618 local terms energy: -64.862760 where: bonds (distance) C4'-P energy: -15.134 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -14.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -153.328563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.328563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.328563 (E_RNA) where: Base-Base interactions energy: -93.637 where: short stacking energy: -55.914 Base-Backbone interact. energy: -0.008 local terms energy: -59.683867 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -9.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -146.794224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.794224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.794224 (E_RNA) where: Base-Base interactions energy: -87.754 where: short stacking energy: -54.883 Base-Backbone interact. energy: -0.777 local terms energy: -58.262781 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -11.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -147.902509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.902509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.902509 (E_RNA) where: Base-Base interactions energy: -87.891 where: short stacking energy: -48.790 Base-Backbone interact. energy: -0.533 local terms energy: -59.479102 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -12.163 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: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -134.895384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.895384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.895384 (E_RNA) where: Base-Base interactions energy: -79.124 where: short stacking energy: -46.549 Base-Backbone interact. energy: -0.081 local terms energy: -55.689724 where: bonds (distance) C4'-P energy: -8.446 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -5.563 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: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -93.511405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.511405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.511405 (E_RNA) where: Base-Base interactions energy: -40.422 where: short stacking energy: -40.422 Base-Backbone interact. energy: -0.156 local terms energy: -52.932976 where: bonds (distance) C4'-P energy: -8.547 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -9.810 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: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -86.841766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.841766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.841766 (E_RNA) where: Base-Base interactions energy: -35.646 where: short stacking energy: -35.779 Base-Backbone interact. energy: -1.271 local terms energy: -49.924307 where: bonds (distance) C4'-P energy: -12.504 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -10.720 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -88.462620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.462620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.462620 (E_RNA) where: Base-Base interactions energy: -38.703 where: short stacking energy: -38.703 Base-Backbone interact. energy: -0.007 local terms energy: -49.753312 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -9.358 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -8.145 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: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -76.679243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.679243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.679243 (E_RNA) where: Base-Base interactions energy: -29.389 where: short stacking energy: -29.389 Base-Backbone interact. energy: -0.173 local terms energy: -47.117179 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -12.723 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -82.062506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.062506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.062506 (E_RNA) where: Base-Base interactions energy: -33.924 where: short stacking energy: -33.924 Base-Backbone interact. energy: -0.002 local terms energy: -48.137197 where: bonds (distance) C4'-P energy: -11.739 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -6.787 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: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -152.365080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.365080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.365080 (E_RNA) where: Base-Base interactions energy: -88.014 where: short stacking energy: -53.024 Base-Backbone interact. energy: -0.412 local terms energy: -63.939743 where: bonds (distance) C4'-P energy: -13.854 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -11.734 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: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -146.072357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.072357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.072357 (E_RNA) where: Base-Base interactions energy: -86.185 where: short stacking energy: -50.648 Base-Backbone interact. energy: -0.024 local terms energy: -59.862489 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -14.946 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -10.829 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: 2 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -138.661865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.661865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.661865 (E_RNA) where: Base-Base interactions energy: -81.353 where: short stacking energy: -50.763 Base-Backbone interact. energy: -0.317 local terms energy: -56.992366 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -12.734 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -11.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -134.839515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.839515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.839515 (E_RNA) where: Base-Base interactions energy: -76.846 where: short stacking energy: -49.802 Base-Backbone interact. energy: -0.027 local terms energy: -57.967108 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -12.673 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: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -140.702699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.702699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.702699 (E_RNA) where: Base-Base interactions energy: -85.240 where: short stacking energy: -49.138 Base-Backbone interact. energy: -0.954 local terms energy: -54.508529 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -8.741 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -97.566678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.566678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.566678 (E_RNA) where: Base-Base interactions energy: -43.509 where: short stacking energy: -43.509 Base-Backbone interact. energy: -0.102 local terms energy: -53.955507 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -10.097 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: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -94.369491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.369491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.369491 (E_RNA) where: Base-Base interactions energy: -39.073 where: short stacking energy: -37.431 Base-Backbone interact. energy: -0.729 local terms energy: -54.567268 where: bonds (distance) C4'-P energy: -14.934 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -7.848 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: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -82.711295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.711295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.711295 (E_RNA) where: Base-Base interactions energy: -40.668 where: short stacking energy: -32.977 Base-Backbone interact. energy: -0.074 local terms energy: -41.968621 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -10.282 flat angles C4'-P-C4' energy: -11.809 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -84.653589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.653589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.653589 (E_RNA) where: Base-Base interactions energy: -41.048 where: short stacking energy: -41.048 Base-Backbone interact. energy: -0.028 local terms energy: -43.577071 where: bonds (distance) C4'-P energy: -2.818 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -8.973 tors. eta vs tors. theta energy: -6.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -82.871151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.871151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.871151 (E_RNA) where: Base-Base interactions energy: -31.151 where: short stacking energy: -28.339 Base-Backbone interact. energy: -0.018 local terms energy: -51.702670 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -7.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -167.731836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.731836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.731836 (E_RNA) where: Base-Base interactions energy: -107.332 where: short stacking energy: -69.331 Base-Backbone interact. energy: -0.053 local terms energy: -60.347281 where: bonds (distance) C4'-P energy: -12.099 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -10.898 flat angles P-C4'-P energy: -7.449 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: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -146.079104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.079104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.079104 (E_RNA) where: Base-Base interactions energy: -83.038 where: short stacking energy: -61.386 Base-Backbone interact. energy: -0.022 local terms energy: -63.019184 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -13.114 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -13.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -145.325015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.325015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.325015 (E_RNA) where: Base-Base interactions energy: -84.680 where: short stacking energy: -51.107 Base-Backbone interact. energy: -0.042 local terms energy: -60.603305 where: bonds (distance) C4'-P energy: -11.697 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -8.729 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: 4, replica: 5 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -138.537529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.537529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.537529 (E_RNA) where: Base-Base interactions energy: -85.671 where: short stacking energy: -55.798 Base-Backbone interact. energy: -0.019 local terms energy: -52.846891 where: bonds (distance) C4'-P energy: -9.159 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -7.267 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: 5, replica: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -136.516155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.516155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.516155 (E_RNA) where: Base-Base interactions energy: -85.271 where: short stacking energy: -49.177 Base-Backbone interact. energy: -0.095 local terms energy: -51.150297 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -7.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -102.202900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.202900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.202900 (E_RNA) where: Base-Base interactions energy: -48.267 where: short stacking energy: -47.553 Base-Backbone interact. energy: -0.008 local terms energy: -53.928198 where: bonds (distance) C4'-P energy: -9.586 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -9.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -87.112809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.112809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.112809 (E_RNA) where: Base-Base interactions energy: -42.758 where: short stacking energy: -31.488 Base-Backbone interact. energy: -1.236 local terms energy: -43.119336 where: bonds (distance) C4'-P energy: -6.564 bonds (distance) P-C4' energy: -13.152 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -85.254932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.254932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.254932 (E_RNA) where: Base-Base interactions energy: -37.464 where: short stacking energy: -36.476 Base-Backbone interact. energy: -0.151 local terms energy: -47.640408 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -8.127 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -1.401 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: 9, replica: 7 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -73.957984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.957984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.957984 (E_RNA) where: Base-Base interactions energy: -25.299 where: short stacking energy: -23.145 Base-Backbone interact. energy: -0.297 local terms energy: -48.361764 where: bonds (distance) C4'-P energy: -9.915 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -77.848936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.848936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.848936 (E_RNA) where: Base-Base interactions energy: -32.379 where: short stacking energy: -28.683 Base-Backbone interact. energy: -0.034 local terms energy: -45.436498 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -10.246 flat angles C4'-P-C4' energy: -9.852 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -4.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -180.816808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.816808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.816808 (E_RNA) where: Base-Base interactions energy: -115.195 where: short stacking energy: -72.082 Base-Backbone interact. energy: -0.002 local terms energy: -65.620420 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -19.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -147.970836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.970836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.970836 (E_RNA) where: Base-Base interactions energy: -90.522 where: short stacking energy: -60.046 Base-Backbone interact. energy: -0.427 local terms energy: -57.021941 where: bonds (distance) C4'-P energy: -9.453 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -13.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -137.846129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.846129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.846129 (E_RNA) where: Base-Base interactions energy: -78.392 where: short stacking energy: -53.511 Base-Backbone interact. energy: -0.008 local terms energy: -59.445395 where: bonds (distance) C4'-P energy: -14.678 bonds (distance) P-C4' energy: -10.795 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -11.832 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: 8 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -141.932598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.932598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.932598 (E_RNA) where: Base-Base interactions energy: -88.991 where: short stacking energy: -59.286 Base-Backbone interact. energy: -0.440 local terms energy: -52.502041 where: bonds (distance) C4'-P energy: -10.290 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -9.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -139.359256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.359256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.359256 (E_RNA) where: Base-Base interactions energy: -82.210 where: short stacking energy: -43.703 Base-Backbone interact. energy: 0.140 local terms energy: -57.288916 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -12.189 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -11.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -100.133357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.133357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.133357 (E_RNA) where: Base-Base interactions energy: -44.395 where: short stacking energy: -38.397 Base-Backbone interact. energy: -0.144 local terms energy: -55.593814 where: bonds (distance) C4'-P energy: -13.030 bonds (distance) P-C4' energy: -12.310 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -9.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -106.954785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.954785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.954785 (E_RNA) where: Base-Base interactions energy: -53.411 where: short stacking energy: -53.411 Base-Backbone interact. energy: -0.004 local terms energy: -53.539443 where: bonds (distance) C4'-P energy: -9.354 bonds (distance) P-C4' energy: -8.660 flat angles C4'-P-C4' energy: -14.418 flat angles P-C4'-P energy: -7.035 tors. eta vs tors. theta energy: -14.073 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: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -87.821199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.821199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.821199 (E_RNA) where: Base-Base interactions energy: -34.048 where: short stacking energy: -34.048 Base-Backbone interact. energy: -0.067 local terms energy: -53.706307 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -11.536 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -9.235 tors. eta vs tors. theta energy: -11.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -106.165392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.165392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.165392 (E_RNA) where: Base-Base interactions energy: -65.819 where: short stacking energy: -37.980 Base-Backbone interact. energy: 1.090 local terms energy: -41.436902 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -10.159 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -89.340014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.340014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.340014 (E_RNA) where: Base-Base interactions energy: -38.124 where: short stacking energy: -38.124 Base-Backbone interact. energy: -0.009 local terms energy: -51.207280 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -9.852 flat angles C4'-P-C4' energy: -11.940 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -11.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -157.473490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.473490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.473490 (E_RNA) where: Base-Base interactions energy: -91.881 where: short stacking energy: -53.090 Base-Backbone interact. energy: -0.018 local terms energy: -65.574452 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -16.064 flat angles P-C4'-P energy: -7.530 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: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -133.455919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.455919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.455919 (E_RNA) where: Base-Base interactions energy: -72.196 where: short stacking energy: -41.233 Base-Backbone interact. energy: -0.931 local terms energy: -60.328336 where: bonds (distance) C4'-P energy: -14.326 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -142.663962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.663962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.663962 (E_RNA) where: Base-Base interactions energy: -86.230 where: short stacking energy: -58.116 Base-Backbone interact. energy: 0.414 local terms energy: -56.847618 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -10.700 flat angles C4'-P-C4' energy: -13.573 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -16.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -141.589582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.589582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.589582 (E_RNA) where: Base-Base interactions energy: -86.264 where: short stacking energy: -48.687 Base-Backbone interact. energy: -1.268 local terms energy: -54.057690 where: bonds (distance) C4'-P energy: -13.316 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -10.240 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -12.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -136.858726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.858726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.858726 (E_RNA) where: Base-Base interactions energy: -77.312 where: short stacking energy: -48.404 Base-Backbone interact. energy: -0.033 local terms energy: -59.514266 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -11.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -94.850361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.850361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.850361 (E_RNA) where: Base-Base interactions energy: -45.517 where: short stacking energy: -33.605 Base-Backbone interact. energy: 0.158 local terms energy: -49.491409 where: bonds (distance) C4'-P energy: -11.735 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -102.309431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.309431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.309431 (E_RNA) where: Base-Base interactions energy: -51.720 where: short stacking energy: -30.190 Base-Backbone interact. energy: -0.318 local terms energy: -50.271727 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -7.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -85.902037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.902037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.902037 (E_RNA) where: Base-Base interactions energy: -33.327 where: short stacking energy: -28.891 Base-Backbone interact. energy: -0.145 local terms energy: -52.429556 where: bonds (distance) C4'-P energy: -10.344 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -83.710860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.710860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.710860 (E_RNA) where: Base-Base interactions energy: -37.951 where: short stacking energy: -33.382 Base-Backbone interact. energy: -0.012 local terms energy: -45.747905 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -74.425425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.425425 (E_RNA) where: Base-Base interactions energy: -34.167 where: short stacking energy: -34.167 Base-Backbone interact. energy: -0.090 local terms energy: -40.167878 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -148.907621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.907621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.907621 (E_RNA) where: Base-Base interactions energy: -91.109 where: short stacking energy: -59.707 Base-Backbone interact. energy: -0.046 local terms energy: -57.753509 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -7.563 tors. eta vs tors. theta energy: -11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -164.820791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.820791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.820791 (E_RNA) where: Base-Base interactions energy: -103.288 where: short stacking energy: -67.360 Base-Backbone interact. energy: -0.551 local terms energy: -60.982057 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -8.549 tors. eta vs tors. theta energy: -16.976 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: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -139.796712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.796712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.796712 (E_RNA) where: Base-Base interactions energy: -81.450 where: short stacking energy: -51.397 Base-Backbone interact. energy: -0.292 local terms energy: -58.054972 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -9.594 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -13.219 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: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -145.444446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.444446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.444446 (E_RNA) where: Base-Base interactions energy: -85.286 where: short stacking energy: -51.854 Base-Backbone interact. energy: -0.194 local terms energy: -59.964323 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -7.227 tors. eta vs tors. theta energy: -14.077 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: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -133.535264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.535264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.535264 (E_RNA) where: Base-Base interactions energy: -79.284 where: short stacking energy: -39.226 Base-Backbone interact. energy: -0.335 local terms energy: -53.916743 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -8.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -89.278030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.278030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.278030 (E_RNA) where: Base-Base interactions energy: -38.748 where: short stacking energy: -38.748 Base-Backbone interact. energy: 0.674 local terms energy: -51.203990 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -10.064 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -5.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -133.550270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.550270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.550270 (E_RNA) where: Base-Base interactions energy: -74.699 where: short stacking energy: -55.587 Base-Backbone interact. energy: -0.011 local terms energy: -58.839772 where: bonds (distance) C4'-P energy: -8.546 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: -16.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -86.552326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.552326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.552326 (E_RNA) where: Base-Base interactions energy: -39.011 where: short stacking energy: -39.011 Base-Backbone interact. energy: -0.311 local terms energy: -47.231032 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -9.828 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -92.643303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.643303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.643303 (E_RNA) where: Base-Base interactions energy: -47.385 where: short stacking energy: -47.310 Base-Backbone interact. energy: -0.398 local terms energy: -44.860393 where: bonds (distance) C4'-P energy: -8.207 bonds (distance) P-C4' energy: -9.861 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -11.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -73.215772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.215772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.215772 (E_RNA) where: Base-Base interactions energy: -30.053 where: short stacking energy: -30.053 Base-Backbone interact. energy: -0.057 local terms energy: -43.105104 where: bonds (distance) C4'-P energy: -9.146 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -8.699 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: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -155.974579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.974579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.974579 (E_RNA) where: Base-Base interactions energy: -90.875 where: short stacking energy: -60.914 Base-Backbone interact. energy: -0.019 local terms energy: -65.080974 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -15.284 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: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -154.814255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.814255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.814255 (E_RNA) where: Base-Base interactions energy: -96.313 where: short stacking energy: -66.800 Base-Backbone interact. energy: -0.396 local terms energy: -58.104529 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -9.848 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -18.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -136.489401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.489401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.489401 (E_RNA) where: Base-Base interactions energy: -80.569 where: short stacking energy: -46.855 Base-Backbone interact. energy: -0.075 local terms energy: -55.844882 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -12.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -150.365990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.365990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.365990 (E_RNA) where: Base-Base interactions energy: -88.397 where: short stacking energy: -50.699 Base-Backbone interact. energy: -0.002 local terms energy: -61.966397 where: bonds (distance) C4'-P energy: -13.581 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -10.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -141.613213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.613213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.613213 (E_RNA) where: Base-Base interactions energy: -84.809 where: short stacking energy: -53.374 Base-Backbone interact. energy: -0.046 local terms energy: -56.757909 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -13.990 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -9.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -89.580021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.580021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.580021 (E_RNA) where: Base-Base interactions energy: -42.344 where: short stacking energy: -42.344 Base-Backbone interact. energy: -0.011 local terms energy: -47.225140 where: bonds (distance) C4'-P energy: -12.322 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -84.710873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.710873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.710873 (E_RNA) where: Base-Base interactions energy: -41.529 where: short stacking energy: -41.529 Base-Backbone interact. energy: 1.948 local terms energy: -45.129690 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -10.594 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: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -92.880017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.880017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.880017 (E_RNA) where: Base-Base interactions energy: -42.040 where: short stacking energy: -27.616 Base-Backbone interact. energy: -0.172 local terms energy: -50.667754 where: bonds (distance) C4'-P energy: -8.146 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -12.566 flat angles P-C4'-P energy: -10.454 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -84.176933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.176933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.176933 (E_RNA) where: Base-Base interactions energy: -36.453 where: short stacking energy: -31.484 Base-Backbone interact. energy: -0.130 local terms energy: -47.594626 where: bonds (distance) C4'-P energy: -9.461 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -9.778 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -74.001493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.001493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.001493 (E_RNA) where: Base-Base interactions energy: -33.717 where: short stacking energy: -34.617 Base-Backbone interact. energy: -0.090 local terms energy: -40.194222 where: bonds (distance) C4'-P energy: -9.922 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -11.421 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -166.216404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.216404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.216404 (E_RNA) where: Base-Base interactions energy: -102.935 where: short stacking energy: -61.334 Base-Backbone interact. energy: -0.683 local terms energy: -62.598182 where: bonds (distance) C4'-P energy: -9.180 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -9.737 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: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -153.493511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.493511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.493511 (E_RNA) where: Base-Base interactions energy: -88.463 where: short stacking energy: -59.520 Base-Backbone interact. energy: -0.009 local terms energy: -65.021116 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -11.790 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -15.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -158.017695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.017695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.017695 (E_RNA) where: Base-Base interactions energy: -96.104 where: short stacking energy: -62.496 Base-Backbone interact. energy: 0.176 local terms energy: -62.089766 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -8.950 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: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -151.619109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.619109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.619109 (E_RNA) where: Base-Base interactions energy: -92.081 where: short stacking energy: -60.334 Base-Backbone interact. energy: -0.736 local terms energy: -58.802145 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -15.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -129.493795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.493795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.493795 (E_RNA) where: Base-Base interactions energy: -74.235 where: short stacking energy: -46.264 Base-Backbone interact. energy: -0.027 local terms energy: -55.231242 where: bonds (distance) C4'-P energy: -12.165 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -9.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -104.128166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.128166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.128166 (E_RNA) where: Base-Base interactions energy: -47.841 where: short stacking energy: -47.172 Base-Backbone interact. energy: -0.177 local terms energy: -56.110422 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -12.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -80.478811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.478811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.478811 (E_RNA) where: Base-Base interactions energy: -35.068 where: short stacking energy: -32.263 Base-Backbone interact. energy: -0.086 local terms energy: -45.325032 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -12.780 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -82.981659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.981659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.981659 (E_RNA) where: Base-Base interactions energy: -37.568 where: short stacking energy: -37.568 Base-Backbone interact. energy: -0.092 local terms energy: -45.321552 where: bonds (distance) C4'-P energy: -9.690 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -83.519487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.519487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.519487 (E_RNA) where: Base-Base interactions energy: -38.613 where: short stacking energy: -26.281 Base-Backbone interact. energy: -0.020 local terms energy: -44.886701 where: bonds (distance) C4'-P energy: -10.835 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -75.270236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.270236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.270236 (E_RNA) where: Base-Base interactions energy: -31.601 where: short stacking energy: -31.601 Base-Backbone interact. energy: -0.021 local terms energy: -43.648872 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -168.305738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.305738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.305738 (E_RNA) where: Base-Base interactions energy: -100.399 where: short stacking energy: -61.753 Base-Backbone interact. energy: -0.000 local terms energy: -67.906856 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -15.748 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -17.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -162.043122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.043122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.043122 (E_RNA) where: Base-Base interactions energy: -95.222 where: short stacking energy: -61.370 Base-Backbone interact. energy: -0.380 local terms energy: -66.440524 where: bonds (distance) C4'-P energy: -14.665 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -10.609 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: 367 Temperature: 1.000000 Total energy: -152.062785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.062785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.062785 (E_RNA) where: Base-Base interactions energy: -88.210 where: short stacking energy: -61.192 Base-Backbone interact. energy: -0.212 local terms energy: -63.640653 where: bonds (distance) C4'-P energy: -15.116 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -14.497 flat angles P-C4'-P energy: -7.909 tors. eta vs tors. theta energy: -13.769 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: 2 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -150.368441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.368441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.368441 (E_RNA) where: Base-Base interactions energy: -89.533 where: short stacking energy: -54.833 Base-Backbone interact. energy: -0.034 local terms energy: -60.801227 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -9.837 tors. eta vs tors. theta energy: -12.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -125.283283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.283283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.283283 (E_RNA) where: Base-Base interactions energy: -73.767 where: short stacking energy: -43.089 Base-Backbone interact. energy: -0.512 local terms energy: -51.003457 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -5.744 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: 4 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -87.714897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.714897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.714897 (E_RNA) where: Base-Base interactions energy: -38.973 where: short stacking energy: -38.863 Base-Backbone interact. energy: -0.654 local terms energy: -48.088764 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -12.050 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -92.599314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.599314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.599314 (E_RNA) where: Base-Base interactions energy: -47.679 where: short stacking energy: -43.879 Base-Backbone interact. energy: -1.030 local terms energy: -43.890227 where: bonds (distance) C4'-P energy: -8.770 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -89.850375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.850375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.850375 (E_RNA) where: Base-Base interactions energy: -42.002 where: short stacking energy: -39.106 Base-Backbone interact. energy: -0.169 local terms energy: -47.679633 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -9.617 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -6.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -71.460047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.460047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.460047 (E_RNA) where: Base-Base interactions energy: -33.275 where: short stacking energy: -20.242 Base-Backbone interact. energy: 1.170 local terms energy: -39.354963 where: bonds (distance) C4'-P energy: -10.261 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -11.005 flat angles P-C4'-P energy: -7.583 tors. eta vs tors. theta energy: 3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -71.760113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.760113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.760113 (E_RNA) where: Base-Base interactions energy: -21.938 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.238 local terms energy: -49.583960 where: bonds (distance) C4'-P energy: -13.523 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -168.309414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.309414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.309414 (E_RNA) where: Base-Base interactions energy: -102.966 where: short stacking energy: -67.312 Base-Backbone interact. energy: -0.042 local terms energy: -65.301143 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -12.851 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -16.341 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: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -158.662576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.662576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.662576 (E_RNA) where: Base-Base interactions energy: -92.545 where: short stacking energy: -49.205 Base-Backbone interact. energy: -0.363 local terms energy: -65.755162 where: bonds (distance) C4'-P energy: -15.319 bonds (distance) P-C4' energy: -12.066 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -16.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -133.458610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.458610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.458610 (E_RNA) where: Base-Base interactions energy: -78.593 where: short stacking energy: -49.934 Base-Backbone interact. energy: -0.007 local terms energy: -54.859047 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -10.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -127.399389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.399389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.399389 (E_RNA) where: Base-Base interactions energy: -71.384 where: short stacking energy: -42.825 Base-Backbone interact. energy: -0.296 local terms energy: -55.720118 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -14.529 flat angles C4'-P-C4' energy: -12.650 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -116.364860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.364860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.364860 (E_RNA) where: Base-Base interactions energy: -66.124 where: short stacking energy: -44.407 Base-Backbone interact. energy: -0.068 local terms energy: -50.172713 where: bonds (distance) C4'-P energy: -10.276 bonds (distance) P-C4' energy: -11.534 flat angles C4'-P-C4' energy: -9.969 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -9.455 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: 368 Temperature: 1.150000 Total energy: -102.553776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.553776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.553776 (E_RNA) where: Base-Base interactions energy: -49.505 where: short stacking energy: -41.239 Base-Backbone interact. energy: 0.380 local terms energy: -53.428766 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -5.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -108.934566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.934566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.934566 (E_RNA) where: Base-Base interactions energy: -64.642 where: short stacking energy: -31.990 Base-Backbone interact. energy: -0.376 local terms energy: -43.917466 where: bonds (distance) C4'-P energy: -9.192 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -4.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -99.040622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.040622 (E_RNA) where: Base-Base interactions energy: -51.315 where: short stacking energy: -46.520 Base-Backbone interact. energy: -0.001 local terms energy: -47.725169 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -9.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -81.131507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.131507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.131507 (E_RNA) where: Base-Base interactions energy: -36.864 where: short stacking energy: -26.123 Base-Backbone interact. energy: -1.070 local terms energy: -43.198071 where: bonds (distance) C4'-P energy: -6.564 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -9.488 flat angles P-C4'-P energy: -11.668 tors. eta vs tors. theta energy: -4.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -74.303788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.303788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.303788 (E_RNA) where: Base-Base interactions energy: -36.395 where: short stacking energy: -23.928 Base-Backbone interact. energy: -0.185 local terms energy: -37.724098 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -11.216 flat angles C4'-P-C4' energy: -2.894 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -1.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -166.956334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.956334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.956334 (E_RNA) where: Base-Base interactions energy: -102.171 where: short stacking energy: -68.149 Base-Backbone interact. energy: -0.001 local terms energy: -64.784613 where: bonds (distance) C4'-P energy: -11.072 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -19.025 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: 369 Temperature: 0.950000 Total energy: -148.797563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.797563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.797563 (E_RNA) where: Base-Base interactions energy: -90.742 where: short stacking energy: -45.029 Base-Backbone interact. energy: -0.030 local terms energy: -58.025321 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -8.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -121.562894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.562894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.562894 (E_RNA) where: Base-Base interactions energy: -73.950 where: short stacking energy: -42.160 Base-Backbone interact. energy: -0.208 local terms energy: -47.404515 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -7.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -130.569198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.569198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.569198 (E_RNA) where: Base-Base interactions energy: -75.255 where: short stacking energy: -44.238 Base-Backbone interact. energy: -0.467 local terms energy: -54.847795 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -11.017 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: 369 Temperature: 1.100000 Total energy: -96.156500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.156500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.156500 (E_RNA) where: Base-Base interactions energy: -52.991 where: short stacking energy: -40.248 Base-Backbone interact. energy: -0.746 local terms energy: -42.419564 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -129.254790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.254790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.254790 (E_RNA) where: Base-Base interactions energy: -78.684 where: short stacking energy: -49.706 Base-Backbone interact. energy: -0.116 local terms energy: -50.454531 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -8.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -77.546120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.546120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.546120 (E_RNA) where: Base-Base interactions energy: -29.978 where: short stacking energy: -24.824 Base-Backbone interact. energy: -0.039 local terms energy: -47.529627 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -14.731 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -85.182434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.182434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.182434 (E_RNA) where: Base-Base interactions energy: -43.710 where: short stacking energy: -43.710 Base-Backbone interact. energy: -0.006 local terms energy: -41.466377 where: bonds (distance) C4'-P energy: -8.596 bonds (distance) P-C4' energy: -10.876 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -68.633730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.633730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.633730 (E_RNA) where: Base-Base interactions energy: -26.512 where: short stacking energy: -25.130 Base-Backbone interact. energy: -0.117 local terms energy: -42.005456 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.782 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: 1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -69.368374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.368374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.368374 (E_RNA) where: Base-Base interactions energy: -25.958 where: short stacking energy: -24.365 Base-Backbone interact. energy: -0.193 local terms energy: -43.216919 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -162.380912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.380912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.380912 (E_RNA) where: Base-Base interactions energy: -99.715 where: short stacking energy: -54.065 Base-Backbone interact. energy: -0.374 local terms energy: -62.292065 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -13.034 flat angles P-C4'-P energy: -8.650 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: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -156.578595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.578595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.578595 (E_RNA) where: Base-Base interactions energy: -95.228 where: short stacking energy: -59.185 Base-Backbone interact. energy: -0.201 local terms energy: -61.149889 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -16.268 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -8.046 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: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -137.587385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.587385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.587385 (E_RNA) where: Base-Base interactions energy: -83.051 where: short stacking energy: -49.659 Base-Backbone interact. energy: -0.760 local terms energy: -53.776173 where: bonds (distance) C4'-P energy: -9.068 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -99.552791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.552791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.552791 (E_RNA) where: Base-Base interactions energy: -50.610 where: short stacking energy: -49.155 Base-Backbone interact. energy: -0.103 local terms energy: -48.840546 where: bonds (distance) C4'-P energy: -10.759 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -129.137498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.137498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.137498 (E_RNA) where: Base-Base interactions energy: -80.060 where: short stacking energy: -45.602 Base-Backbone interact. energy: -0.053 local terms energy: -49.024984 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -8.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -100.205468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.205468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.205468 (E_RNA) where: Base-Base interactions energy: -47.419 where: short stacking energy: -44.440 Base-Backbone interact. energy: -0.385 local terms energy: -52.401714 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -7.844 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -12.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -91.944979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.944979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.944979 (E_RNA) where: Base-Base interactions energy: -43.727 where: short stacking energy: -43.727 Base-Backbone interact. energy: -0.004 local terms energy: -48.214497 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -7.658 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: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -90.179198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.179198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.179198 (E_RNA) where: Base-Base interactions energy: -45.972 where: short stacking energy: -36.010 Base-Backbone interact. energy: -0.151 local terms energy: -44.056022 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -10.542 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -82.645336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.645336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.645336 (E_RNA) where: Base-Base interactions energy: -36.423 where: short stacking energy: -27.403 Base-Backbone interact. energy: -0.453 local terms energy: -45.769240 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -12.441 flat angles C4'-P-C4' energy: -10.346 flat angles P-C4'-P energy: -11.047 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: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -73.003149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.003149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.003149 (E_RNA) where: Base-Base interactions energy: -32.363 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.278 local terms energy: -40.362563 where: bonds (distance) C4'-P energy: -3.877 bonds (distance) P-C4' energy: -11.802 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -7.325 tors. eta vs tors. theta energy: -5.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -170.168590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.168590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.168590 (E_RNA) where: Base-Base interactions energy: -110.030 where: short stacking energy: -66.172 Base-Backbone interact. energy: -0.140 local terms energy: -59.998801 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -4.357 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: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -152.796585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.796585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.796585 (E_RNA) where: Base-Base interactions energy: -92.923 where: short stacking energy: -54.524 Base-Backbone interact. energy: -0.407 local terms energy: -59.467431 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -12.914 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -13.554 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: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -145.786298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.786298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.786298 (E_RNA) where: Base-Base interactions energy: -83.109 where: short stacking energy: -57.204 Base-Backbone interact. energy: -0.216 local terms energy: -62.461156 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -8.804 tors. eta vs tors. theta energy: -13.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -133.317343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.317343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.317343 (E_RNA) where: Base-Base interactions energy: -77.970 where: short stacking energy: -49.675 Base-Backbone interact. energy: -0.098 local terms energy: -55.249561 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -10.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -101.677057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.677057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.677057 (E_RNA) where: Base-Base interactions energy: -46.197 where: short stacking energy: -39.182 Base-Backbone interact. energy: -0.057 local terms energy: -55.422771 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -12.632 tors. eta vs tors. theta energy: -5.876 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: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -99.421147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.421147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.421147 (E_RNA) where: Base-Base interactions energy: -47.395 where: short stacking energy: -47.395 Base-Backbone interact. energy: -0.007 local terms energy: -52.018910 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -9.605 flat angles C4'-P-C4' energy: -15.188 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -8.267 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -94.335082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.335082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.335082 (E_RNA) where: Base-Base interactions energy: -43.824 where: short stacking energy: -43.824 Base-Backbone interact. energy: -0.005 local terms energy: -50.506538 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -8.175 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: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -80.499498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.499498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.499498 (E_RNA) where: Base-Base interactions energy: -35.648 where: short stacking energy: -32.536 Base-Backbone interact. energy: -0.093 local terms energy: -44.758265 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -74.414404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.414404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.414404 (E_RNA) where: Base-Base interactions energy: -33.683 where: short stacking energy: -33.683 Base-Backbone interact. energy: 1.083 local terms energy: -41.814411 where: bonds (distance) C4'-P energy: -10.139 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: 0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -77.655862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.655862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.655862 (E_RNA) where: Base-Base interactions energy: -28.756 where: short stacking energy: -28.756 Base-Backbone interact. energy: 0.338 local terms energy: -49.238487 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -165.524406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.524406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.524406 (E_RNA) where: Base-Base interactions energy: -94.798 where: short stacking energy: -59.722 Base-Backbone interact. energy: -0.933 local terms energy: -69.793288 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -11.141 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: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -150.880998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.880998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.880998 (E_RNA) where: Base-Base interactions energy: -91.281 where: short stacking energy: -54.517 Base-Backbone interact. energy: -0.026 local terms energy: -59.574232 where: bonds (distance) C4'-P energy: -10.381 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -13.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -145.342700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.342700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.342700 (E_RNA) where: Base-Base interactions energy: -86.570 where: short stacking energy: -51.359 Base-Backbone interact. energy: -0.132 local terms energy: -58.641313 where: bonds (distance) C4'-P energy: -10.294 bonds (distance) P-C4' energy: -10.931 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -15.757 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: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -150.379780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.379780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.379780 (E_RNA) where: Base-Base interactions energy: -87.970 where: short stacking energy: -57.707 Base-Backbone interact. energy: -0.003 local terms energy: -62.406933 where: bonds (distance) C4'-P energy: -10.894 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -13.372 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: 1 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -116.107741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.107741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.107741 (E_RNA) where: Base-Base interactions energy: -58.578 where: short stacking energy: -45.763 Base-Backbone interact. energy: -0.616 local terms energy: -56.913052 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -4.325 tors. eta vs tors. theta energy: -8.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -99.967130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.967130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.967130 (E_RNA) where: Base-Base interactions energy: -46.164 where: short stacking energy: -46.164 Base-Backbone interact. energy: -0.019 local terms energy: -53.784515 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -9.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -74.609907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.609907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.609907 (E_RNA) where: Base-Base interactions energy: -29.965 where: short stacking energy: -29.638 Base-Backbone interact. energy: -0.082 local terms energy: -44.563378 where: bonds (distance) C4'-P energy: -8.360 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -81.071325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.071325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.071325 (E_RNA) where: Base-Base interactions energy: -35.275 where: short stacking energy: -35.275 Base-Backbone interact. energy: -0.109 local terms energy: -45.687317 where: bonds (distance) C4'-P energy: -9.924 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -85.047541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.047541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.047541 (E_RNA) where: Base-Base interactions energy: -33.883 where: short stacking energy: -33.883 Base-Backbone interact. energy: -0.008 local terms energy: -51.156554 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -71.052647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.052647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.052647 (E_RNA) where: Base-Base interactions energy: -29.008 where: short stacking energy: -26.507 Base-Backbone interact. energy: -0.044 local terms energy: -42.000309 where: bonds (distance) C4'-P energy: -9.380 bonds (distance) P-C4' energy: -9.210 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -166.500676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.500676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.500676 (E_RNA) where: Base-Base interactions energy: -100.365 where: short stacking energy: -73.174 Base-Backbone interact. energy: -0.013 local terms energy: -66.122900 where: bonds (distance) C4'-P energy: -9.320 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -11.174 tors. eta vs tors. theta energy: -15.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -146.023526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.023526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.023526 (E_RNA) where: Base-Base interactions energy: -82.995 where: short stacking energy: -55.632 Base-Backbone interact. energy: -0.310 local terms energy: -62.718875 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -8.600 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: 3, replica: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -153.338601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.338601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.338601 (E_RNA) where: Base-Base interactions energy: -92.995 where: short stacking energy: -60.112 Base-Backbone interact. energy: -0.733 local terms energy: -59.610246 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -10.385 tors. eta vs tors. theta energy: -13.697 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: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -142.358338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.358338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.358338 (E_RNA) where: Base-Base interactions energy: -89.459 where: short stacking energy: -54.338 Base-Backbone interact. energy: -0.010 local terms energy: -52.888345 where: bonds (distance) C4'-P energy: -11.060 bonds (distance) P-C4' energy: -10.225 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -13.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -108.402338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.402338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.402338 (E_RNA) where: Base-Base interactions energy: -57.482 where: short stacking energy: -53.489 Base-Backbone interact. energy: -0.025 local terms energy: -50.895277 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -9.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -100.930571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.930571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.930571 (E_RNA) where: Base-Base interactions energy: -51.437 where: short stacking energy: -31.438 Base-Backbone interact. energy: -1.897 local terms energy: -47.596022 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -3.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -88.971014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.971014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.971014 (E_RNA) where: Base-Base interactions energy: -38.028 where: short stacking energy: -38.028 Base-Backbone interact. energy: -0.257 local terms energy: -50.685606 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -85.094002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.094002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.094002 (E_RNA) where: Base-Base interactions energy: -38.468 where: short stacking energy: -21.559 Base-Backbone interact. energy: -0.021 local terms energy: -46.605417 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -12.188 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -83.052007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.052007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.052007 (E_RNA) where: Base-Base interactions energy: -30.248 where: short stacking energy: -30.145 Base-Backbone interact. energy: -0.031 local terms energy: -52.772278 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -11.725 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -9.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -78.137539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.137539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.137539 (E_RNA) where: Base-Base interactions energy: -35.695 where: short stacking energy: -32.483 Base-Backbone interact. energy: -0.753 local terms energy: -41.689888 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -3.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -145.952978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.952978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.952978 (E_RNA) where: Base-Base interactions energy: -87.205 where: short stacking energy: -62.213 Base-Backbone interact. energy: -0.002 local terms energy: -58.745467 where: bonds (distance) C4'-P energy: -10.882 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -10.751 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: 2, replica: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -156.474488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.474488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.474488 (E_RNA) where: Base-Base interactions energy: -92.879 where: short stacking energy: -63.627 Base-Backbone interact. energy: -0.092 local terms energy: -63.502937 where: bonds (distance) C4'-P energy: -10.844 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -15.854 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -156.098897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.098897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.098897 (E_RNA) where: Base-Base interactions energy: -101.610 where: short stacking energy: -63.499 Base-Backbone interact. energy: -0.011 local terms energy: -54.478368 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -10.831 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -11.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -141.343486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.343486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.343486 (E_RNA) where: Base-Base interactions energy: -87.402 where: short stacking energy: -58.948 Base-Backbone interact. energy: -0.094 local terms energy: -53.847027 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -9.693 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -11.553 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: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -109.371804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.371804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.371804 (E_RNA) where: Base-Base interactions energy: -62.307 where: short stacking energy: -40.942 Base-Backbone interact. energy: -0.082 local terms energy: -46.982260 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -11.845 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -106.010669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.010669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.010669 (E_RNA) where: Base-Base interactions energy: -51.350 where: short stacking energy: -40.336 Base-Backbone interact. energy: -0.135 local terms energy: -54.525306 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -9.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -98.103797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.103797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.103797 (E_RNA) where: Base-Base interactions energy: -51.997 where: short stacking energy: -49.164 Base-Backbone interact. energy: 0.692 local terms energy: -46.799736 where: bonds (distance) C4'-P energy: -10.240 bonds (distance) P-C4' energy: -9.300 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -9.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -77.521257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.521257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.521257 (E_RNA) where: Base-Base interactions energy: -29.885 where: short stacking energy: -29.885 Base-Backbone interact. energy: -0.081 local terms energy: -47.555263 where: bonds (distance) C4'-P energy: -12.665 bonds (distance) P-C4' energy: -8.347 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -70.127126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.127126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.127126 (E_RNA) where: Base-Base interactions energy: -29.101 where: short stacking energy: -27.589 Base-Backbone interact. energy: -0.107 local terms energy: -40.918859 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -1.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -76.201816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.201816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.201816 (E_RNA) where: Base-Base interactions energy: -32.078 where: short stacking energy: -31.670 Base-Backbone interact. energy: -0.097 local terms energy: -44.026328 where: bonds (distance) C4'-P energy: -10.989 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -164.467880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.467880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.467880 (E_RNA) where: Base-Base interactions energy: -96.078 where: short stacking energy: -64.103 Base-Backbone interact. energy: -0.313 local terms energy: -68.076595 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -9.859 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: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -150.650473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.650473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.650473 (E_RNA) where: Base-Base interactions energy: -85.274 where: short stacking energy: -55.084 Base-Backbone interact. energy: -0.659 local terms energy: -64.717216 where: bonds (distance) C4'-P energy: -15.510 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -13.353 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -10.108 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: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -137.607303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.607303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.607303 (E_RNA) where: Base-Base interactions energy: -73.631 where: short stacking energy: -48.066 Base-Backbone interact. energy: -1.308 local terms energy: -62.667829 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -8.983 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: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -143.931305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.931305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.931305 (E_RNA) where: Base-Base interactions energy: -86.616 where: short stacking energy: -57.712 Base-Backbone interact. energy: -0.002 local terms energy: -57.313801 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -8.337 tors. eta vs tors. theta energy: -10.897 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: 1 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -102.535101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.535101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.535101 (E_RNA) where: Base-Base interactions energy: -46.717 where: short stacking energy: -46.717 Base-Backbone interact. energy: -0.497 local terms energy: -55.320178 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -11.084 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -6.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -104.904112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.904112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.904112 (E_RNA) where: Base-Base interactions energy: -59.236 where: short stacking energy: -59.236 Base-Backbone interact. energy: -0.004 local terms energy: -45.664308 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -8.828 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -10.182 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -91.357036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.357036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.357036 (E_RNA) where: Base-Base interactions energy: -45.516 where: short stacking energy: -43.847 Base-Backbone interact. energy: 0.181 local terms energy: -46.021588 where: bonds (distance) C4'-P energy: -8.655 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -8.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -79.418043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.418043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.418043 (E_RNA) where: Base-Base interactions energy: -45.110 where: short stacking energy: -26.969 Base-Backbone interact. energy: 0.394 local terms energy: -34.702289 where: bonds (distance) C4'-P energy: -7.457 bonds (distance) P-C4' energy: -10.314 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -0.107 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: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -79.893226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.893226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.893226 (E_RNA) where: Base-Base interactions energy: -36.110 where: short stacking energy: -35.132 Base-Backbone interact. energy: -0.596 local terms energy: -43.186540 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -12.866 flat angles C4'-P-C4' energy: -9.759 flat angles P-C4'-P energy: -5.216 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -68.094582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.094582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.094582 (E_RNA) where: Base-Base interactions energy: -29.605 where: short stacking energy: -29.064 Base-Backbone interact. energy: 0.462 local terms energy: -38.951540 where: bonds (distance) C4'-P energy: -8.729 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -153.920344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.920344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.920344 (E_RNA) where: Base-Base interactions energy: -96.103 where: short stacking energy: -57.810 Base-Backbone interact. energy: -0.001 local terms energy: -57.815918 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -12.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -155.728891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.728891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.728891 (E_RNA) where: Base-Base interactions energy: -94.845 where: short stacking energy: -53.099 Base-Backbone interact. energy: 0.413 local terms energy: -61.296882 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -7.696 tors. eta vs tors. theta energy: -11.704 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: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -135.743127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.743127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.743127 (E_RNA) where: Base-Base interactions energy: -79.345 where: short stacking energy: -52.356 Base-Backbone interact. energy: -0.141 local terms energy: -56.256395 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -11.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -129.942628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.942628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.942628 (E_RNA) where: Base-Base interactions energy: -75.922 where: short stacking energy: -45.798 Base-Backbone interact. energy: -0.016 local terms energy: -54.004488 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -14.155 flat angles C4'-P-C4' energy: -15.219 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -6.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -104.507738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.507738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.507738 (E_RNA) where: Base-Base interactions energy: -45.611 where: short stacking energy: -45.611 Base-Backbone interact. energy: -0.817 local terms energy: -58.079328 where: bonds (distance) C4'-P energy: -13.407 bonds (distance) P-C4' energy: -8.530 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -10.139 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: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -92.135990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.135990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.135990 (E_RNA) where: Base-Base interactions energy: -38.896 where: short stacking energy: -35.016 Base-Backbone interact. energy: -0.440 local terms energy: -52.800591 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -7.463 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -91.051638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.051638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.051638 (E_RNA) where: Base-Base interactions energy: -41.939 where: short stacking energy: -40.952 Base-Backbone interact. energy: -0.032 local terms energy: -49.080445 where: bonds (distance) C4'-P energy: -9.640 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -78.458116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.458116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.458116 (E_RNA) where: Base-Base interactions energy: -34.968 where: short stacking energy: -26.894 Base-Backbone interact. energy: -0.256 local terms energy: -43.234563 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -8.588 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -1.068 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: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -88.276947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.276947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.276947 (E_RNA) where: Base-Base interactions energy: -41.038 where: short stacking energy: -41.038 Base-Backbone interact. energy: -0.047 local terms energy: -47.192202 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -9.690 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -80.813310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.813310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.813310 (E_RNA) where: Base-Base interactions energy: -33.714 where: short stacking energy: -32.381 Base-Backbone interact. energy: 0.695 local terms energy: -47.794189 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -10.720 tors. eta vs tors. theta energy: -6.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -162.945762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.945762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.945762 (E_RNA) where: Base-Base interactions energy: -102.762 where: short stacking energy: -57.992 Base-Backbone interact. energy: -0.936 local terms energy: -59.247368 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -7.520 tors. eta vs tors. theta energy: -13.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -149.835074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.835074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.835074 (E_RNA) where: Base-Base interactions energy: -90.050 where: short stacking energy: -54.968 Base-Backbone interact. energy: -0.001 local terms energy: -59.783786 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -11.494 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -8.203 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: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -146.219831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.219831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.219831 (E_RNA) where: Base-Base interactions energy: -93.327 where: short stacking energy: -62.059 Base-Backbone interact. energy: -0.017 local terms energy: -52.876329 where: bonds (distance) C4'-P energy: -11.142 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -131.851958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.851958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.851958 (E_RNA) where: Base-Base interactions energy: -79.967 where: short stacking energy: -52.026 Base-Backbone interact. energy: -0.101 local terms energy: -51.783822 where: bonds (distance) C4'-P energy: -9.320 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -101.383210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.383210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.383210 (E_RNA) where: Base-Base interactions energy: -46.159 where: short stacking energy: -46.159 Base-Backbone interact. energy: -0.007 local terms energy: -55.217576 where: bonds (distance) C4'-P energy: -10.663 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -11.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -91.528746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.528746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.528746 (E_RNA) where: Base-Base interactions energy: -44.746 where: short stacking energy: -38.089 Base-Backbone interact. energy: 1.259 local terms energy: -48.041244 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -5.428 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: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -82.401625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.401625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.401625 (E_RNA) where: Base-Base interactions energy: -35.432 where: short stacking energy: -35.432 Base-Backbone interact. energy: -0.157 local terms energy: -46.812941 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -9.856 flat angles P-C4'-P energy: -8.448 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: 8, replica: 10 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -83.322906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.322906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.322906 (E_RNA) where: Base-Base interactions energy: -28.322 where: short stacking energy: -27.200 Base-Backbone interact. energy: -0.086 local terms energy: -54.915370 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -12.114 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -72.691000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.691000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.691000 (E_RNA) where: Base-Base interactions energy: -33.949 where: short stacking energy: -26.731 Base-Backbone interact. energy: -0.055 local terms energy: -38.686878 where: bonds (distance) C4'-P energy: -8.767 bonds (distance) P-C4' energy: -11.576 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -1.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -110.467166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.467166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.467166 (E_RNA) where: Base-Base interactions energy: -71.854 where: short stacking energy: -43.140 Base-Backbone interact. energy: -0.135 local terms energy: -38.477819 where: bonds (distance) C4'-P energy: -6.614 bonds (distance) P-C4' energy: -8.950 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -3.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -149.020126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.020126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.020126 (E_RNA) where: Base-Base interactions energy: -87.826 where: short stacking energy: -55.826 Base-Backbone interact. energy: 0.400 local terms energy: -61.593915 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -8.677 tors. eta vs tors. theta energy: -9.546 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: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -156.520309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.520309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.520309 (E_RNA) where: Base-Base interactions energy: -94.254 where: short stacking energy: -57.671 Base-Backbone interact. energy: -0.140 local terms energy: -62.126960 where: bonds (distance) C4'-P energy: -13.142 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -9.266 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: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -137.020956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.020956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.020956 (E_RNA) where: Base-Base interactions energy: -79.308 where: short stacking energy: -43.296 Base-Backbone interact. energy: -0.210 local terms energy: -57.502221 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -9.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -139.009295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.009295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.009295 (E_RNA) where: Base-Base interactions energy: -85.879 where: short stacking energy: -53.064 Base-Backbone interact. energy: -0.013 local terms energy: -53.117998 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -6.516 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: 5, replica: 5 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -112.860731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.860731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.860731 (E_RNA) where: Base-Base interactions energy: -58.958 where: short stacking energy: -40.973 Base-Backbone interact. energy: -0.026 local terms energy: -53.877153 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -104.661841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.661841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.661841 (E_RNA) where: Base-Base interactions energy: -57.225 where: short stacking energy: -40.337 Base-Backbone interact. energy: -0.062 local terms energy: -47.374656 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -122.350910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.350910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.350910 (E_RNA) where: Base-Base interactions energy: -67.668 where: short stacking energy: -43.971 Base-Backbone interact. energy: -0.131 local terms energy: -54.552074 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -10.572 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -10.775 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: 10 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -100.037211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.037211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.037211 (E_RNA) where: Base-Base interactions energy: -55.095 where: short stacking energy: -39.575 Base-Backbone interact. energy: -0.001 local terms energy: -44.941056 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -14.584 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -118.498256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.498256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.498256 (E_RNA) where: Base-Base interactions energy: -71.883 where: short stacking energy: -42.527 Base-Backbone interact. energy: -0.101 local terms energy: -46.513548 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -9.521 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -74.776607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.776607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.776607 (E_RNA) where: Base-Base interactions energy: -35.187 where: short stacking energy: -32.769 Base-Backbone interact. energy: -0.481 local terms energy: -39.108679 where: bonds (distance) C4'-P energy: -9.188 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -6.142 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: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -159.796630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.796630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.796630 (E_RNA) where: Base-Base interactions energy: -97.073 where: short stacking energy: -66.483 Base-Backbone interact. energy: 0.383 local terms energy: -63.106326 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -12.025 flat angles P-C4'-P energy: -7.585 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: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -150.484927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.484927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.484927 (E_RNA) where: Base-Base interactions energy: -90.908 where: short stacking energy: -59.294 Base-Backbone interact. energy: -0.077 local terms energy: -59.500730 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -12.593 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -139.780740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.780740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.780740 (E_RNA) where: Base-Base interactions energy: -82.170 where: short stacking energy: -44.673 Base-Backbone interact. energy: -0.120 local terms energy: -57.490984 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -8.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -136.084158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.084158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.084158 (E_RNA) where: Base-Base interactions energy: -81.035 where: short stacking energy: -47.333 Base-Backbone interact. energy: -0.346 local terms energy: -54.702359 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -9.915 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: 5, replica: 5 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -119.852221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.852221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.852221 (E_RNA) where: Base-Base interactions energy: -70.180 where: short stacking energy: -39.953 Base-Backbone interact. energy: -0.072 local terms energy: -49.599597 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -3.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -132.912296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.912296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.912296 (E_RNA) where: Base-Base interactions energy: -80.746 where: short stacking energy: -50.473 Base-Backbone interact. energy: 0.135 local terms energy: -52.300763 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -6.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -81.596145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.596145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.596145 (E_RNA) where: Base-Base interactions energy: -38.801 where: short stacking energy: -29.191 Base-Backbone interact. energy: -0.061 local terms energy: -42.733902 where: bonds (distance) C4'-P energy: -6.539 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -107.617858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.617858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.617858 (E_RNA) where: Base-Base interactions energy: -69.659 where: short stacking energy: -40.249 Base-Backbone interact. energy: -0.296 local terms energy: -37.663485 where: bonds (distance) C4'-P energy: -7.135 bonds (distance) P-C4' energy: -11.229 flat angles C4'-P-C4' energy: -8.780 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -6.554 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: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -85.009784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.009784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.009784 (E_RNA) where: Base-Base interactions energy: -32.984 where: short stacking energy: -32.984 Base-Backbone interact. energy: -0.053 local terms energy: -51.973108 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -71.719397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.719397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.719397 (E_RNA) where: Base-Base interactions energy: -27.466 where: short stacking energy: -24.808 Base-Backbone interact. energy: -0.101 local terms energy: -44.151663 where: bonds (distance) C4'-P energy: -7.454 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -153.718327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.718327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.718327 (E_RNA) where: Base-Base interactions energy: -91.886 where: short stacking energy: -62.601 Base-Backbone interact. energy: 0.572 local terms energy: -62.403995 where: bonds (distance) C4'-P energy: -9.843 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -13.744 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: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -153.098593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.098593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.098593 (E_RNA) where: Base-Base interactions energy: -88.895 where: short stacking energy: -58.559 Base-Backbone interact. energy: -0.057 local terms energy: -64.146707 where: bonds (distance) C4'-P energy: -11.962 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -13.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -143.520215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.520215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.520215 (E_RNA) where: Base-Base interactions energy: -86.501 where: short stacking energy: -50.154 Base-Backbone interact. energy: -0.361 local terms energy: -56.658826 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -9.579 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: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -137.383923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.383923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.383923 (E_RNA) where: Base-Base interactions energy: -80.965 where: short stacking energy: -48.953 Base-Backbone interact. energy: -0.192 local terms energy: -56.226412 where: bonds (distance) C4'-P energy: -15.969 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -9.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -120.048855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.048855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.048855 (E_RNA) where: Base-Base interactions energy: -70.276 where: short stacking energy: -39.074 Base-Backbone interact. energy: -0.159 local terms energy: -49.614210 where: bonds (distance) C4'-P energy: -9.544 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -101.341713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.341713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.341713 (E_RNA) where: Base-Base interactions energy: -46.348 where: short stacking energy: -43.454 Base-Backbone interact. energy: 0.288 local terms energy: -55.281065 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -10.527 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: 380 Temperature: 1.200000 Total energy: -86.154217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.154217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.154217 (E_RNA) where: Base-Base interactions energy: -43.377 where: short stacking energy: -39.806 Base-Backbone interact. energy: -1.902 local terms energy: -40.875506 where: bonds (distance) C4'-P energy: -7.611 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -9.739 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -83.458258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.458258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.458258 (E_RNA) where: Base-Base interactions energy: -33.597 where: short stacking energy: -32.878 Base-Backbone interact. energy: 1.716 local terms energy: -51.576507 where: bonds (distance) C4'-P energy: -12.388 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.342 flat angles P-C4'-P energy: -5.417 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -77.082427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.082427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.082427 (E_RNA) where: Base-Base interactions energy: -38.375 where: short stacking energy: -26.383 Base-Backbone interact. energy: -0.105 local terms energy: -38.602425 where: bonds (distance) C4'-P energy: -8.380 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -83.979573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.979573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.979573 (E_RNA) where: Base-Base interactions energy: -34.670 where: short stacking energy: -34.670 Base-Backbone interact. energy: -0.004 local terms energy: -49.306530 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -7.300 tors. eta vs tors. theta energy: -5.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -158.941415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.941415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.941415 (E_RNA) where: Base-Base interactions energy: -99.596 where: short stacking energy: -60.372 Base-Backbone interact. energy: 1.420 local terms energy: -60.765653 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -11.700 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: 2, replica: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -139.582680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.582680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.582680 (E_RNA) where: Base-Base interactions energy: -83.124 where: short stacking energy: -52.176 Base-Backbone interact. energy: -0.093 local terms energy: -56.365588 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -10.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -148.066811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.066811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.066811 (E_RNA) where: Base-Base interactions energy: -90.110 where: short stacking energy: -58.666 Base-Backbone interact. energy: 0.797 local terms energy: -58.753711 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -10.607 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: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -127.437301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.437301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.437301 (E_RNA) where: Base-Base interactions energy: -74.919 where: short stacking energy: -44.332 Base-Backbone interact. energy: -0.113 local terms energy: -52.404909 where: bonds (distance) C4'-P energy: -9.682 bonds (distance) P-C4' energy: -10.041 flat angles C4'-P-C4' energy: -15.112 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -6.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -133.402693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.402693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.402693 (E_RNA) where: Base-Base interactions energy: -74.669 where: short stacking energy: -42.219 Base-Backbone interact. energy: -0.056 local terms energy: -58.677774 where: bonds (distance) C4'-P energy: -13.850 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -10.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -121.247961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.247961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.247961 (E_RNA) where: Base-Base interactions energy: -73.393 where: short stacking energy: -27.850 Base-Backbone interact. energy: -0.502 local terms energy: -47.352749 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -7.232 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: 7, replica: 5 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -86.247101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.247101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.247101 (E_RNA) where: Base-Base interactions energy: -38.424 where: short stacking energy: -33.198 Base-Backbone interact. energy: -0.054 local terms energy: -47.769706 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -12.237 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -76.842298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.842298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.842298 (E_RNA) where: Base-Base interactions energy: -31.419 where: short stacking energy: -24.688 Base-Backbone interact. energy: 0.080 local terms energy: -45.503438 where: bonds (distance) C4'-P energy: -12.095 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -75.309595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.309595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.309595 (E_RNA) where: Base-Base interactions energy: -28.010 where: short stacking energy: -28.010 Base-Backbone interact. energy: -0.706 local terms energy: -46.593591 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -5.431 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: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -87.334802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.334802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.334802 (E_RNA) where: Base-Base interactions energy: -39.476 where: short stacking energy: -39.476 Base-Backbone interact. energy: -0.042 local terms energy: -47.816680 where: bonds (distance) C4'-P energy: -8.042 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -157.078299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.078299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.078299 (E_RNA) where: Base-Base interactions energy: -95.300 where: short stacking energy: -61.640 Base-Backbone interact. energy: -0.620 local terms energy: -61.158078 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -10.748 flat angles P-C4'-P energy: -11.328 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: 2, replica: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -156.519325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.519325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.519325 (E_RNA) where: Base-Base interactions energy: -92.695 where: short stacking energy: -61.269 Base-Backbone interact. energy: -0.049 local terms energy: -63.775617 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -13.638 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: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -127.791165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.791165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.791165 (E_RNA) where: Base-Base interactions energy: -81.200 where: short stacking energy: -51.085 Base-Backbone interact. energy: -0.595 local terms energy: -45.996223 where: bonds (distance) C4'-P energy: -4.466 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -143.343423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.343423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.343423 (E_RNA) where: Base-Base interactions energy: -83.823 where: short stacking energy: -56.261 Base-Backbone interact. energy: -0.022 local terms energy: -59.497717 where: bonds (distance) C4'-P energy: -9.390 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -14.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -110.884589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.884589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.884589 (E_RNA) where: Base-Base interactions energy: -56.317 where: short stacking energy: -46.201 Base-Backbone interact. energy: -0.184 local terms energy: -54.382838 where: bonds (distance) C4'-P energy: -9.640 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -118.226554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.226554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.226554 (E_RNA) where: Base-Base interactions energy: -62.256 where: short stacking energy: -34.908 Base-Backbone interact. energy: -0.036 local terms energy: -55.934517 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -11.976 tors. eta vs tors. theta energy: -3.591 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: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -86.190491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.190491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.190491 (E_RNA) where: Base-Base interactions energy: -36.440 where: short stacking energy: -36.440 Base-Backbone interact. energy: 0.044 local terms energy: -49.794668 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -2.652 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: 8, replica: 5 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -80.392831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.392831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.392831 (E_RNA) where: Base-Base interactions energy: -33.169 where: short stacking energy: -32.815 Base-Backbone interact. energy: -0.124 local terms energy: -47.099048 where: bonds (distance) C4'-P energy: -10.507 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -78.106797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.106797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.106797 (E_RNA) where: Base-Base interactions energy: -30.502 where: short stacking energy: -30.502 Base-Backbone interact. energy: -0.060 local terms energy: -47.544544 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -75.883129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.883129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.883129 (E_RNA) where: Base-Base interactions energy: -33.639 where: short stacking energy: -33.639 Base-Backbone interact. energy: -0.043 local terms energy: -42.201400 where: bonds (distance) C4'-P energy: -10.968 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -164.810368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.810368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.810368 (E_RNA) where: Base-Base interactions energy: -98.214 where: short stacking energy: -63.891 Base-Backbone interact. energy: -0.005 local terms energy: -66.591362 where: bonds (distance) C4'-P energy: -14.739 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -9.687 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: 2, replica: 8 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -148.478307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.478307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.478307 (E_RNA) where: Base-Base interactions energy: -91.715 where: short stacking energy: -61.386 Base-Backbone interact. energy: 2.273 local terms energy: -59.036912 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -13.484 tors. eta vs tors. theta energy: -11.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -136.160100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.160100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.160100 (E_RNA) where: Base-Base interactions energy: -80.295 where: short stacking energy: -46.235 Base-Backbone interact. energy: -0.554 local terms energy: -55.310691 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -12.007 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -11.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -128.813278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.813278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.813278 (E_RNA) where: Base-Base interactions energy: -78.683 where: short stacking energy: -41.404 Base-Backbone interact. energy: -0.116 local terms energy: -50.013955 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -9.121 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -9.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -104.908051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.908051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.908051 (E_RNA) where: Base-Base interactions energy: -53.801 where: short stacking energy: -42.605 Base-Backbone interact. energy: 0.288 local terms energy: -51.395328 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -9.884 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -10.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -121.031625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.031625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.031625 (E_RNA) where: Base-Base interactions energy: -74.878 where: short stacking energy: -47.629 Base-Backbone interact. energy: -0.023 local terms energy: -46.130648 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -8.735 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -9.288 tors. eta vs tors. theta energy: -6.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -91.735584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.735584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.735584 (E_RNA) where: Base-Base interactions energy: -40.705 where: short stacking energy: -35.011 Base-Backbone interact. energy: -0.111 local terms energy: -50.919282 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -3.735 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: 10 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -88.500085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.500085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.500085 (E_RNA) where: Base-Base interactions energy: -34.071 where: short stacking energy: -34.071 Base-Backbone interact. energy: -0.026 local terms energy: -54.403315 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -9.669 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: 9, replica: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -100.932656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.932656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.932656 (E_RNA) where: Base-Base interactions energy: -52.697 where: short stacking energy: -42.241 Base-Backbone interact. energy: 0.332 local terms energy: -48.568275 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -11.946 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -8.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -70.197362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.197362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.197362 (E_RNA) where: Base-Base interactions energy: -31.555 where: short stacking energy: -29.934 Base-Backbone interact. energy: -0.037 local terms energy: -38.605883 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -7.160 flat angles C4'-P-C4' energy: -9.531 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -163.477646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.477646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.477646 (E_RNA) where: Base-Base interactions energy: -100.793 where: short stacking energy: -66.198 Base-Backbone interact. energy: 1.532 local terms energy: -64.216639 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -147.578273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.578273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.578273 (E_RNA) where: Base-Base interactions energy: -86.909 where: short stacking energy: -56.009 Base-Backbone interact. energy: -2.323 local terms energy: -58.346866 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -11.678 tors. eta vs tors. theta energy: -11.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -137.230038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.230038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.230038 (E_RNA) where: Base-Base interactions energy: -79.740 where: short stacking energy: -50.408 Base-Backbone interact. energy: -0.297 local terms energy: -57.193553 where: bonds (distance) C4'-P energy: -12.227 bonds (distance) P-C4' energy: -16.025 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -135.653226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.653226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.653226 (E_RNA) where: Base-Base interactions energy: -82.731 where: short stacking energy: -51.277 Base-Backbone interact. energy: -0.337 local terms energy: -52.584844 where: bonds (distance) C4'-P energy: -14.859 bonds (distance) P-C4' energy: -15.792 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -11.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -134.607853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.607853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.607853 (E_RNA) where: Base-Base interactions energy: -77.187 where: short stacking energy: -54.257 Base-Backbone interact. energy: -0.001 local terms energy: -57.420220 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -11.796 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -12.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -103.065341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.065341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.065341 (E_RNA) where: Base-Base interactions energy: -54.628 where: short stacking energy: -35.950 Base-Backbone interact. energy: -0.205 local terms energy: -48.232146 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -89.831215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.831215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.831215 (E_RNA) where: Base-Base interactions energy: -36.303 where: short stacking energy: -36.303 Base-Backbone interact. energy: -0.059 local terms energy: -53.469695 where: bonds (distance) C4'-P energy: -8.054 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -11.960 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -77.874593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.874593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.874593 (E_RNA) where: Base-Base interactions energy: -30.249 where: short stacking energy: -30.249 Base-Backbone interact. energy: -0.004 local terms energy: -47.621655 where: bonds (distance) C4'-P energy: -9.304 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -10.623 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -8.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -75.575941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.575941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.575941 (E_RNA) where: Base-Base interactions energy: -32.682 where: short stacking energy: -30.846 Base-Backbone interact. energy: -0.100 local terms energy: -42.793322 where: bonds (distance) C4'-P energy: -8.928 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -9.381 flat angles P-C4'-P energy: -6.635 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: 10, replica: 5 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -68.512864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.512864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.512864 (E_RNA) where: Base-Base interactions energy: -25.937 where: short stacking energy: -25.937 Base-Backbone interact. energy: -0.019 local terms energy: -42.557038 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -170.846563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.846563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.846563 (E_RNA) where: Base-Base interactions energy: -101.351 where: short stacking energy: -63.687 Base-Backbone interact. energy: 0.224 local terms energy: -69.719533 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -143.946210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.946210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.946210 (E_RNA) where: Base-Base interactions energy: -85.522 where: short stacking energy: -55.639 Base-Backbone interact. energy: -0.025 local terms energy: -58.399839 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -10.491 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: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -141.387551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.387551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.387551 (E_RNA) where: Base-Base interactions energy: -79.285 where: short stacking energy: -49.598 Base-Backbone interact. energy: -0.005 local terms energy: -62.097838 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -14.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -130.602708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.602708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.602708 (E_RNA) where: Base-Base interactions energy: -74.692 where: short stacking energy: -43.205 Base-Backbone interact. energy: -0.516 local terms energy: -55.394400 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -13.176 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -11.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -127.503081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.503081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.503081 (E_RNA) where: Base-Base interactions energy: -75.811 where: short stacking energy: -42.901 Base-Backbone interact. energy: -0.036 local terms energy: -51.655474 where: bonds (distance) C4'-P energy: -15.274 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -7.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -96.236358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.236358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.236358 (E_RNA) where: Base-Base interactions energy: -58.988 where: short stacking energy: -40.859 Base-Backbone interact. energy: -0.269 local terms energy: -36.979118 where: bonds (distance) C4'-P energy: -6.995 bonds (distance) P-C4' energy: -10.323 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: 1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -87.677167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.677167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.677167 (E_RNA) where: Base-Base interactions energy: -39.963 where: short stacking energy: -39.963 Base-Backbone interact. energy: -0.003 local terms energy: -47.711192 where: bonds (distance) C4'-P energy: -6.787 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -6.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -101.272323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.272323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.272323 (E_RNA) where: Base-Base interactions energy: -49.507 where: short stacking energy: -33.742 Base-Backbone interact. energy: -0.037 local terms energy: -51.728487 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -12.335 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -6.774 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: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -71.642451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.642451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.642451 (E_RNA) where: Base-Base interactions energy: -27.325 where: short stacking energy: -25.758 Base-Backbone interact. energy: -0.094 local terms energy: -44.222903 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -8.257 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -68.489722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.489722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.489722 (E_RNA) where: Base-Base interactions energy: -31.552 where: short stacking energy: -21.684 Base-Backbone interact. energy: -0.230 local terms energy: -36.707999 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -11.108 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -7.500 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: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -165.073393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.073393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.073393 (E_RNA) where: Base-Base interactions energy: -99.858 where: short stacking energy: -64.938 Base-Backbone interact. energy: 0.482 local terms energy: -65.697647 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -17.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -153.483909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.483909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.483909 (E_RNA) where: Base-Base interactions energy: -93.489 where: short stacking energy: -62.616 Base-Backbone interact. energy: -0.010 local terms energy: -59.984817 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -14.784 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -12.238 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: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -140.454551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.454551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.454551 (E_RNA) where: Base-Base interactions energy: -86.352 where: short stacking energy: -46.226 Base-Backbone interact. energy: -0.105 local terms energy: -53.997341 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -7.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -137.266469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.266469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.266469 (E_RNA) where: Base-Base interactions energy: -85.053 where: short stacking energy: -54.388 Base-Backbone interact. energy: 2.600 local terms energy: -54.813410 where: bonds (distance) C4'-P energy: -9.586 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -13.049 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: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -123.712075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.712075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.712075 (E_RNA) where: Base-Base interactions energy: -75.898 where: short stacking energy: -42.457 Base-Backbone interact. energy: 0.948 local terms energy: -48.761520 where: bonds (distance) C4'-P energy: -10.860 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -95.621502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.621502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.621502 (E_RNA) where: Base-Base interactions energy: -40.332 where: short stacking energy: -22.047 Base-Backbone interact. energy: -0.306 local terms energy: -54.984245 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -6.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -86.204847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.204847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.204847 (E_RNA) where: Base-Base interactions energy: -39.069 where: short stacking energy: -21.040 Base-Backbone interact. energy: 0.999 local terms energy: -48.134955 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -7.449 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -89.604582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.604582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.604582 (E_RNA) where: Base-Base interactions energy: -35.234 where: short stacking energy: -31.476 Base-Backbone interact. energy: -0.157 local terms energy: -54.212940 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -13.080 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -73.432093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.432093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.432093 (E_RNA) where: Base-Base interactions energy: -27.004 where: short stacking energy: -27.004 Base-Backbone interact. energy: 0.273 local terms energy: -46.700476 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -6.803 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -68.217210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.217210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.217210 (E_RNA) where: Base-Base interactions energy: -29.074 where: short stacking energy: -29.074 Base-Backbone interact. energy: -0.279 local terms energy: -38.863810 where: bonds (distance) C4'-P energy: -6.228 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -10.875 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -0.941 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: 1, replica: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -163.765932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.765932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.765932 (E_RNA) where: Base-Base interactions energy: -100.452 where: short stacking energy: -64.041 Base-Backbone interact. energy: -0.470 local terms energy: -62.844063 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -12.088 tors. eta vs tors. theta energy: -13.256 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: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -148.043782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.043782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.043782 (E_RNA) where: Base-Base interactions energy: -92.898 where: short stacking energy: -56.531 Base-Backbone interact. energy: -0.020 local terms energy: -55.125618 where: bonds (distance) C4'-P energy: -9.627 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -10.128 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: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -143.157797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.157797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.157797 (E_RNA) where: Base-Base interactions energy: -90.422 where: short stacking energy: -47.915 Base-Backbone interact. energy: -0.615 local terms energy: -52.121636 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -8.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -131.130235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.130235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.130235 (E_RNA) where: Base-Base interactions energy: -81.037 where: short stacking energy: -53.921 Base-Backbone interact. energy: -0.032 local terms energy: -50.061084 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -9.357 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -140.503172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.503172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.503172 (E_RNA) where: Base-Base interactions energy: -85.888 where: short stacking energy: -52.564 Base-Backbone interact. energy: -0.067 local terms energy: -54.547808 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -10.700 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -11.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -111.739345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.739345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.739345 (E_RNA) where: Base-Base interactions energy: -60.225 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.295 local terms energy: -51.219858 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -92.880465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.880465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.880465 (E_RNA) where: Base-Base interactions energy: -53.524 where: short stacking energy: -35.160 Base-Backbone interact. energy: -0.271 local terms energy: -39.085592 where: bonds (distance) C4'-P energy: -11.083 bonds (distance) P-C4' energy: -11.757 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -4.078 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: 8, replica: 5 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -89.971066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.971066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.971066 (E_RNA) where: Base-Base interactions energy: -39.779 where: short stacking energy: -39.779 Base-Backbone interact. energy: -0.005 local terms energy: -50.187194 where: bonds (distance) C4'-P energy: -10.347 bonds (distance) P-C4' energy: -9.968 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -90.813380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.813380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.813380 (E_RNA) where: Base-Base interactions energy: -38.776 where: short stacking energy: -38.776 Base-Backbone interact. energy: -0.261 local terms energy: -51.776401 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -14.022 flat angles C4'-P-C4' energy: -10.574 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -73.903112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.903112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.903112 (E_RNA) where: Base-Base interactions energy: -36.080 where: short stacking energy: -36.080 Base-Backbone interact. energy: -0.258 local terms energy: -37.564530 where: bonds (distance) C4'-P energy: -9.122 bonds (distance) P-C4' energy: -9.986 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -3.179 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: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -167.959917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.959917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.959917 (E_RNA) where: Base-Base interactions energy: -106.888 where: short stacking energy: -60.984 Base-Backbone interact. energy: -0.366 local terms energy: -60.705893 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -14.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -141.853204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.853204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.853204 (E_RNA) where: Base-Base interactions energy: -81.543 where: short stacking energy: -54.916 Base-Backbone interact. energy: -0.010 local terms energy: -60.301052 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -11.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -127.211396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.211396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.211396 (E_RNA) where: Base-Base interactions energy: -72.553 where: short stacking energy: -41.306 Base-Backbone interact. energy: -0.350 local terms energy: -54.309204 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -6.171 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -143.238435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.238435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.238435 (E_RNA) where: Base-Base interactions energy: -81.245 where: short stacking energy: -51.027 Base-Backbone interact. energy: -0.585 local terms energy: -61.407797 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -12.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -138.274365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.274365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.274365 (E_RNA) where: Base-Base interactions energy: -79.885 where: short stacking energy: -45.642 Base-Backbone interact. energy: 0.074 local terms energy: -58.463610 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -7.238 tors. eta vs tors. theta energy: -12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -123.353693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.353693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.353693 (E_RNA) where: Base-Base interactions energy: -69.776 where: short stacking energy: -30.405 Base-Backbone interact. energy: -0.448 local terms energy: -53.129746 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -4.917 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: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -89.461069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.461069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.461069 (E_RNA) where: Base-Base interactions energy: -36.921 where: short stacking energy: -36.921 Base-Backbone interact. energy: -0.217 local terms energy: -52.323426 where: bonds (distance) C4'-P energy: -12.929 bonds (distance) P-C4' energy: -11.278 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -9.135 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: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -76.445516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.445516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.445516 (E_RNA) where: Base-Base interactions energy: -32.912 where: short stacking energy: -32.912 Base-Backbone interact. energy: -0.016 local terms energy: -43.516739 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -6.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -86.296293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.296293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.296293 (E_RNA) where: Base-Base interactions energy: -35.967 where: short stacking energy: -35.967 Base-Backbone interact. energy: -0.001 local terms energy: -50.328641 where: bonds (distance) C4'-P energy: -10.005 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -6.512 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -96.398166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.398166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.398166 (E_RNA) where: Base-Base interactions energy: -42.827 where: short stacking energy: -34.552 Base-Backbone interact. energy: -1.238 local terms energy: -52.333001 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -12.864 flat angles P-C4'-P energy: -9.478 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: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -166.095161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.095161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.095161 (E_RNA) where: Base-Base interactions energy: -102.209 where: short stacking energy: -60.728 Base-Backbone interact. energy: -0.196 local terms energy: -63.690487 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -6.561 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: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -140.317915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.317915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.317915 (E_RNA) where: Base-Base interactions energy: -75.366 where: short stacking energy: -44.876 Base-Backbone interact. energy: -0.707 local terms energy: -64.244658 where: bonds (distance) C4'-P energy: -15.721 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -11.374 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -141.770404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.770404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.770404 (E_RNA) where: Base-Base interactions energy: -83.186 where: short stacking energy: -54.808 Base-Backbone interact. energy: -0.094 local terms energy: -58.491335 where: bonds (distance) C4'-P energy: -9.069 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -12.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -153.631198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.631198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.631198 (E_RNA) where: Base-Base interactions energy: -92.876 where: short stacking energy: -60.768 Base-Backbone interact. energy: -0.394 local terms energy: -60.361694 where: bonds (distance) C4'-P energy: -13.593 bonds (distance) P-C4' energy: -9.385 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -131.838392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.838392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.838392 (E_RNA) where: Base-Base interactions energy: -76.845 where: short stacking energy: -39.634 Base-Backbone interact. energy: -0.707 local terms energy: -54.286419 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -8.784 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: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -133.937834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.937834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.937834 (E_RNA) where: Base-Base interactions energy: -72.666 where: short stacking energy: -44.647 Base-Backbone interact. energy: -0.478 local terms energy: -60.793606 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -12.081 flat angles P-C4'-P energy: -11.720 tors. eta vs tors. theta energy: -12.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -99.095970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.095970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.095970 (E_RNA) where: Base-Base interactions energy: -47.391 where: short stacking energy: -46.685 Base-Backbone interact. energy: 0.052 local terms energy: -51.757338 where: bonds (distance) C4'-P energy: -12.939 bonds (distance) P-C4' energy: -11.396 flat angles C4'-P-C4' energy: -11.204 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -9.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -82.626054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.626054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.626054 (E_RNA) where: Base-Base interactions energy: -31.650 where: short stacking energy: -31.614 Base-Backbone interact. energy: 1.576 local terms energy: -52.551998 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -76.257745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.257745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.257745 (E_RNA) where: Base-Base interactions energy: -32.033 where: short stacking energy: -24.847 Base-Backbone interact. energy: -0.556 local terms energy: -43.668011 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: 0.340 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: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -75.345473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.345473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.345473 (E_RNA) where: Base-Base interactions energy: -28.361 where: short stacking energy: -28.361 Base-Backbone interact. energy: -0.023 local terms energy: -46.961107 where: bonds (distance) C4'-P energy: -12.947 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -164.716333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.716333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.716333 (E_RNA) where: Base-Base interactions energy: -103.462 where: short stacking energy: -64.371 Base-Backbone interact. energy: 0.091 local terms energy: -61.345514 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -10.300 tors. eta vs tors. theta energy: -13.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -138.321873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.321873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.321873 (E_RNA) where: Base-Base interactions energy: -85.906 where: short stacking energy: -54.687 Base-Backbone interact. energy: -0.016 local terms energy: -52.399829 where: bonds (distance) C4'-P energy: -8.314 bonds (distance) P-C4' energy: -14.598 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -5.676 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: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -133.077559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.077559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.077559 (E_RNA) where: Base-Base interactions energy: -77.296 where: short stacking energy: -51.445 Base-Backbone interact. energy: -0.237 local terms energy: -55.544881 where: bonds (distance) C4'-P energy: -12.029 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -11.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -129.460775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.460775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.460775 (E_RNA) where: Base-Base interactions energy: -78.514 where: short stacking energy: -47.940 Base-Backbone interact. energy: -0.056 local terms energy: -50.890319 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -5.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -142.191120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.191120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.191120 (E_RNA) where: Base-Base interactions energy: -92.557 where: short stacking energy: -43.945 Base-Backbone interact. energy: -0.008 local terms energy: -49.626096 where: bonds (distance) C4'-P energy: -15.191 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -9.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -128.270803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.270803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.270803 (E_RNA) where: Base-Base interactions energy: -70.684 where: short stacking energy: -40.550 Base-Backbone interact. energy: -0.018 local terms energy: -57.568517 where: bonds (distance) C4'-P energy: -11.456 bonds (distance) P-C4' energy: -7.142 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -11.059 tors. eta vs tors. theta energy: -12.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -83.626186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.626186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.626186 (E_RNA) where: Base-Base interactions energy: -33.024 where: short stacking energy: -32.275 Base-Backbone interact. energy: -0.165 local terms energy: -50.436344 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -10.108 flat angles C4'-P-C4' energy: -11.234 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -78.160516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.160516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.160516 (E_RNA) where: Base-Base interactions energy: -26.943 where: short stacking energy: -26.943 Base-Backbone interact. energy: 1.464 local terms energy: -52.682370 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -11.802 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -3.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -90.032253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.032253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.032253 (E_RNA) where: Base-Base interactions energy: -42.933 where: short stacking energy: -42.933 Base-Backbone interact. energy: -0.209 local terms energy: -46.890699 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -6.337 flat angles C4'-P-C4' energy: -10.307 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -8.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -82.209507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.209507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.209507 (E_RNA) where: Base-Base interactions energy: -38.883 where: short stacking energy: -38.883 Base-Backbone interact. energy: -0.060 local terms energy: -43.266766 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -159.220794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.220794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.220794 (E_RNA) where: Base-Base interactions energy: -97.817 where: short stacking energy: -54.921 Base-Backbone interact. energy: -0.144 local terms energy: -61.259776 where: bonds (distance) C4'-P energy: -12.455 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -7.545 tors. eta vs tors. theta energy: -12.127 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: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -164.248876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.248876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.248876 (E_RNA) where: Base-Base interactions energy: -99.922 where: short stacking energy: -64.778 Base-Backbone interact. energy: -0.002 local terms energy: -64.324969 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -9.002 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: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -137.800833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.800833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.800833 (E_RNA) where: Base-Base interactions energy: -81.688 where: short stacking energy: -50.910 Base-Backbone interact. energy: -0.197 local terms energy: -55.916475 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -10.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -147.192443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.192443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.192443 (E_RNA) where: Base-Base interactions energy: -82.988 where: short stacking energy: -56.630 Base-Backbone interact. energy: -0.003 local terms energy: -64.201650 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -11.137 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: 2 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -130.943355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.943355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.943355 (E_RNA) where: Base-Base interactions energy: -81.915 where: short stacking energy: -42.836 Base-Backbone interact. energy: 0.008 local terms energy: -49.036513 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -11.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -97.696032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.696032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.696032 (E_RNA) where: Base-Base interactions energy: -41.939 where: short stacking energy: -41.756 Base-Backbone interact. energy: -0.174 local terms energy: -55.583049 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -7.408 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: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -109.995145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.995145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.995145 (E_RNA) where: Base-Base interactions energy: -61.407 where: short stacking energy: -37.933 Base-Backbone interact. energy: -0.243 local terms energy: -48.344498 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -12.705 flat angles C4'-P-C4' energy: -12.194 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -3.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -77.414855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.414855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.414855 (E_RNA) where: Base-Base interactions energy: -32.572 where: short stacking energy: -24.469 Base-Backbone interact. energy: -0.095 local terms energy: -44.748129 where: bonds (distance) C4'-P energy: -11.341 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -78.857774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.857774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.857774 (E_RNA) where: Base-Base interactions energy: -32.004 where: short stacking energy: -27.568 Base-Backbone interact. energy: -0.072 local terms energy: -46.782217 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -73.435183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.435183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.435183 (E_RNA) where: Base-Base interactions energy: -24.717 where: short stacking energy: -15.975 Base-Backbone interact. energy: -0.112 local terms energy: -48.605305 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -16.492 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: 3.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -165.928911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.928911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.928911 (E_RNA) where: Base-Base interactions energy: -97.283 where: short stacking energy: -61.299 Base-Backbone interact. energy: -0.072 local terms energy: -68.574814 where: bonds (distance) C4'-P energy: -11.423 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -11.377 flat angles P-C4'-P energy: -12.970 tors. eta vs tors. theta energy: -16.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -143.305097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.305097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.305097 (E_RNA) where: Base-Base interactions energy: -81.908 where: short stacking energy: -52.275 Base-Backbone interact. energy: -0.418 local terms energy: -60.978880 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -8.479 tors. eta vs tors. theta energy: -9.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -139.838611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.838611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.838611 (E_RNA) where: Base-Base interactions energy: -88.026 where: short stacking energy: -56.423 Base-Backbone interact. energy: -0.001 local terms energy: -51.811547 where: bonds (distance) C4'-P energy: -8.100 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -4.996 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: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -151.540423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.540423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.540423 (E_RNA) where: Base-Base interactions energy: -97.619 where: short stacking energy: -60.476 Base-Backbone interact. energy: 0.040 local terms energy: -53.960525 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -15.550 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: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -116.933283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.933283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.933283 (E_RNA) where: Base-Base interactions energy: -67.112 where: short stacking energy: -31.582 Base-Backbone interact. energy: -0.010 local terms energy: -49.810840 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -11.680 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -7.304 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: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -119.913692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.913692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.913692 (E_RNA) where: Base-Base interactions energy: -70.325 where: short stacking energy: -36.827 Base-Backbone interact. energy: -0.255 local terms energy: -49.333418 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -74.755820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.755820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.755820 (E_RNA) where: Base-Base interactions energy: -33.675 where: short stacking energy: -33.675 Base-Backbone interact. energy: -0.210 local terms energy: -40.871373 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -10.906 flat angles C4'-P-C4' energy: -9.127 flat angles P-C4'-P energy: -0.932 tors. eta vs tors. theta energy: -5.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -125.422429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.422429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.422429 (E_RNA) where: Base-Base interactions energy: -73.097 where: short stacking energy: -42.134 Base-Backbone interact. energy: -0.024 local terms energy: -52.302242 where: bonds (distance) C4'-P energy: -5.507 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -73.507815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.507815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.507815 (E_RNA) where: Base-Base interactions energy: -33.008 where: short stacking energy: -33.008 Base-Backbone interact. energy: -0.182 local terms energy: -40.317546 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -2.098 flat angles C4'-P-C4' energy: -10.280 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -6.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -73.254287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.254287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.254287 (E_RNA) where: Base-Base interactions energy: -32.478 where: short stacking energy: -32.478 Base-Backbone interact. energy: -0.393 local terms energy: -40.383623 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: 1.190 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -177.547207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.547207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.547207 (E_RNA) where: Base-Base interactions energy: -106.533 where: short stacking energy: -68.396 Base-Backbone interact. energy: -0.698 local terms energy: -70.316036 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -11.684 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: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -147.547692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.547692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.547692 (E_RNA) where: Base-Base interactions energy: -84.239 where: short stacking energy: -54.796 Base-Backbone interact. energy: -0.050 local terms energy: -63.258474 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -14.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -150.284843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.284843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.284843 (E_RNA) where: Base-Base interactions energy: -92.479 where: short stacking energy: -63.856 Base-Backbone interact. energy: -0.001 local terms energy: -57.804075 where: bonds (distance) C4'-P energy: -4.973 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -8.712 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: 4, replica: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -143.873429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.873429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.873429 (E_RNA) where: Base-Base interactions energy: -80.144 where: short stacking energy: -53.336 Base-Backbone interact. energy: -0.593 local terms energy: -63.136823 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -7.885 tors. eta vs tors. theta energy: -13.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -109.863380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.863380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.863380 (E_RNA) where: Base-Base interactions energy: -64.132 where: short stacking energy: -30.034 Base-Backbone interact. energy: -0.312 local terms energy: -45.419154 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -87.940364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.940364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.940364 (E_RNA) where: Base-Base interactions energy: -35.073 where: short stacking energy: -35.073 Base-Backbone interact. energy: -0.132 local terms energy: -52.734833 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -7.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -89.852735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.852735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.852735 (E_RNA) where: Base-Base interactions energy: -38.329 where: short stacking energy: -35.041 Base-Backbone interact. energy: -0.070 local terms energy: -51.454595 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -11.137 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -7.965 tors. eta vs tors. theta energy: -6.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -85.323833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.323833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.323833 (E_RNA) where: Base-Base interactions energy: -42.770 where: short stacking energy: -42.770 Base-Backbone interact. energy: -0.024 local terms energy: -42.530003 where: bonds (distance) C4'-P energy: -4.492 bonds (distance) P-C4' energy: -11.317 flat angles C4'-P-C4' energy: -10.816 flat angles P-C4'-P energy: -5.723 tors. eta vs tors. theta energy: -10.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -117.956911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.956911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.956911 (E_RNA) where: Base-Base interactions energy: -71.629 where: short stacking energy: -45.948 Base-Backbone interact. energy: -0.070 local terms energy: -46.257951 where: bonds (distance) C4'-P energy: -10.559 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -81.589384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.589384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.589384 (E_RNA) where: Base-Base interactions energy: -44.069 where: short stacking energy: -30.272 Base-Backbone interact. energy: -0.555 local terms energy: -36.965128 where: bonds (distance) C4'-P energy: -5.396 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -153.985855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.985855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.985855 (E_RNA) where: Base-Base interactions energy: -91.204 where: short stacking energy: -55.611 Base-Backbone interact. energy: -0.000 local terms energy: -62.781328 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -7.804 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: 2, replica: 1 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -156.805886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.805886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.805886 (E_RNA) where: Base-Base interactions energy: -93.963 where: short stacking energy: -62.677 Base-Backbone interact. energy: -0.004 local terms energy: -62.839179 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -15.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -139.499097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.499097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.499097 (E_RNA) where: Base-Base interactions energy: -81.399 where: short stacking energy: -51.372 Base-Backbone interact. energy: -0.009 local terms energy: -58.091142 where: bonds (distance) C4'-P energy: -15.258 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -9.363 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: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -138.233511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.233511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.233511 (E_RNA) where: Base-Base interactions energy: -80.050 where: short stacking energy: -41.740 Base-Backbone interact. energy: -0.661 local terms energy: -57.522231 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -9.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -107.199275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.199275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.199275 (E_RNA) where: Base-Base interactions energy: -52.398 where: short stacking energy: -51.844 Base-Backbone interact. energy: -0.123 local terms energy: -54.678689 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -10.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -102.962121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.962121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.962121 (E_RNA) where: Base-Base interactions energy: -54.346 where: short stacking energy: -42.379 Base-Backbone interact. energy: -0.073 local terms energy: -48.543112 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -8.701 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: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -93.590185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.590185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.590185 (E_RNA) where: Base-Base interactions energy: -45.560 where: short stacking energy: -45.560 Base-Backbone interact. energy: -0.000 local terms energy: -48.030218 where: bonds (distance) C4'-P energy: -9.134 bonds (distance) P-C4' energy: -11.952 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -12.609 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: 8, replica: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -74.006913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.006913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.006913 (E_RNA) where: Base-Base interactions energy: -30.308 where: short stacking energy: -24.318 Base-Backbone interact. energy: -0.129 local terms energy: -43.569521 where: bonds (distance) C4'-P energy: -11.250 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -5.293 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: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -75.795780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.795780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.795780 (E_RNA) where: Base-Base interactions energy: -31.295 where: short stacking energy: -31.295 Base-Backbone interact. energy: -0.187 local terms energy: -44.313367 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -70.542482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.542482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.542482 (E_RNA) where: Base-Base interactions energy: -29.571 where: short stacking energy: -24.316 Base-Backbone interact. energy: -0.156 local terms energy: -40.815103 where: bonds (distance) C4'-P energy: -11.893 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -4.798 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -156.325131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.325131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.325131 (E_RNA) where: Base-Base interactions energy: -91.091 where: short stacking energy: -62.999 Base-Backbone interact. energy: -0.003 local terms energy: -65.231040 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.573 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -16.042 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: 1 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -155.318671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.318671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.318671 (E_RNA) where: Base-Base interactions energy: -95.465 where: short stacking energy: -57.665 Base-Backbone interact. energy: -0.017 local terms energy: -59.836709 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -12.838 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: 3, replica: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -148.251505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.251505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.251505 (E_RNA) where: Base-Base interactions energy: -85.610 where: short stacking energy: -53.574 Base-Backbone interact. energy: -0.001 local terms energy: -62.640922 where: bonds (distance) C4'-P energy: -10.625 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -10.819 tors. eta vs tors. theta energy: -11.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -149.270513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.270513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.270513 (E_RNA) where: Base-Base interactions energy: -91.972 where: short stacking energy: -60.852 Base-Backbone interact. energy: -0.019 local terms energy: -57.279859 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -8.842 tors. eta vs tors. theta energy: -15.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -91.718481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.718481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.718481 (E_RNA) where: Base-Base interactions energy: -44.692 where: short stacking energy: -40.870 Base-Backbone interact. energy: -1.186 local terms energy: -45.840929 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -8.984 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -4.574 tors. eta vs tors. theta energy: -8.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -89.881058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.881058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.881058 (E_RNA) where: Base-Base interactions energy: -39.328 where: short stacking energy: -39.328 Base-Backbone interact. energy: -0.010 local terms energy: -50.542463 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -14.037 flat angles C4'-P-C4' energy: -11.255 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -5.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -92.857965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.857965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.857965 (E_RNA) where: Base-Base interactions energy: -48.336 where: short stacking energy: -37.600 Base-Backbone interact. energy: -0.039 local terms energy: -44.483532 where: bonds (distance) C4'-P energy: -11.801 bonds (distance) P-C4' energy: -10.521 flat angles C4'-P-C4' energy: -12.039 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -80.854896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.854896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.854896 (E_RNA) where: Base-Base interactions energy: -33.521 where: short stacking energy: -32.431 Base-Backbone interact. energy: -0.133 local terms energy: -47.201494 where: bonds (distance) C4'-P energy: -7.859 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -75.484344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.484344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.484344 (E_RNA) where: Base-Base interactions energy: -28.726 where: short stacking energy: -28.380 Base-Backbone interact. energy: 2.686 local terms energy: -49.443789 where: bonds (distance) C4'-P energy: -15.233 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -14.801 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -70.313306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.313306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.313306 (E_RNA) where: Base-Base interactions energy: -36.929 where: short stacking energy: -25.710 Base-Backbone interact. energy: -0.267 local terms energy: -33.117503 where: bonds (distance) C4'-P energy: -9.354 bonds (distance) P-C4' energy: -10.983 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -0.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -155.748083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.748083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.748083 (E_RNA) where: Base-Base interactions energy: -97.549 where: short stacking energy: -60.650 Base-Backbone interact. energy: -0.746 local terms energy: -57.452831 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -13.718 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: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -140.149182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.149182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.149182 (E_RNA) where: Base-Base interactions energy: -83.488 where: short stacking energy: -52.090 Base-Backbone interact. energy: -0.091 local terms energy: -56.570094 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -153.129280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.129280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.129280 (E_RNA) where: Base-Base interactions energy: -95.651 where: short stacking energy: -65.910 Base-Backbone interact. energy: -0.001 local terms energy: -57.478030 where: bonds (distance) C4'-P energy: -9.850 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -10.503 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -14.293 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: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -157.439073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.439073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.439073 (E_RNA) where: Base-Base interactions energy: -94.010 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.454 local terms energy: -62.974375 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -13.323 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -16.353 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: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -98.549799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.549799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.549799 (E_RNA) where: Base-Base interactions energy: -44.679 where: short stacking energy: -44.679 Base-Backbone interact. energy: -0.196 local terms energy: -53.674585 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -10.733 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -7.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -97.531640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.531640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.531640 (E_RNA) where: Base-Base interactions energy: -46.535 where: short stacking energy: -39.406 Base-Backbone interact. energy: -0.137 local terms energy: -50.860308 where: bonds (distance) C4'-P energy: -13.175 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -10.748 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -81.398727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.398727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.398727 (E_RNA) where: Base-Base interactions energy: -34.571 where: short stacking energy: -34.571 Base-Backbone interact. energy: -0.256 local terms energy: -46.571687 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -6.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -85.591885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.591885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.591885 (E_RNA) where: Base-Base interactions energy: -35.917 where: short stacking energy: -35.917 Base-Backbone interact. energy: -0.088 local terms energy: -49.586188 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -9.827 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -91.279712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.279712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.279712 (E_RNA) where: Base-Base interactions energy: -50.878 where: short stacking energy: -39.258 Base-Backbone interact. energy: -0.328 local terms energy: -40.073909 where: bonds (distance) C4'-P energy: -3.528 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -9.951 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -10.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -73.278750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.278750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.278750 (E_RNA) where: Base-Base interactions energy: -29.101 where: short stacking energy: -29.101 Base-Backbone interact. energy: -0.099 local terms energy: -44.078488 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -10.526 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -173.837162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.837162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.837162 (E_RNA) where: Base-Base interactions energy: -104.242 where: short stacking energy: -71.510 Base-Backbone interact. energy: -0.005 local terms energy: -69.590105 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -12.175 tors. eta vs tors. theta energy: -19.118 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: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -144.394106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.394106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.394106 (E_RNA) where: Base-Base interactions energy: -82.199 where: short stacking energy: -45.382 Base-Backbone interact. energy: -0.089 local terms energy: -62.105948 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -8.977 tors. eta vs tors. theta energy: -11.541 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: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -154.617345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.617345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.617345 (E_RNA) where: Base-Base interactions energy: -94.076 where: short stacking energy: -56.920 Base-Backbone interact. energy: -0.043 local terms energy: -60.499060 where: bonds (distance) C4'-P energy: -14.549 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -13.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -103.277745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.277745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.277745 (E_RNA) where: Base-Base interactions energy: -42.291 where: short stacking energy: -41.915 Base-Backbone interact. energy: -0.100 local terms energy: -60.886654 where: bonds (distance) C4'-P energy: -12.769 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -10.792 flat angles P-C4'-P energy: -10.353 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: 5, replica: 6 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -130.597809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.597809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.597809 (E_RNA) where: Base-Base interactions energy: -76.869 where: short stacking energy: -50.774 Base-Backbone interact. energy: -0.095 local terms energy: -53.633447 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -8.831 flat angles C4'-P-C4' energy: -11.474 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -11.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -102.705415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.705415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.705415 (E_RNA) where: Base-Base interactions energy: -50.481 where: short stacking energy: -42.354 Base-Backbone interact. energy: 0.124 local terms energy: -52.348068 where: bonds (distance) C4'-P energy: -12.625 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -91.990464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.990464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.990464 (E_RNA) where: Base-Base interactions energy: -38.166 where: short stacking energy: -34.261 Base-Backbone interact. energy: -0.002 local terms energy: -53.822109 where: bonds (distance) C4'-P energy: -12.169 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -10.526 flat angles P-C4'-P energy: -10.644 tors. eta vs tors. theta energy: -10.083 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: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -79.659283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.659283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.659283 (E_RNA) where: Base-Base interactions energy: -24.764 where: short stacking energy: -21.555 Base-Backbone interact. energy: -0.052 local terms energy: -54.842806 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -8.669 tors. eta vs tors. theta energy: -3.962 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: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -82.713603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.713603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.713603 (E_RNA) where: Base-Base interactions energy: -36.333 where: short stacking energy: -31.073 Base-Backbone interact. energy: 0.529 local terms energy: -46.909550 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -76.839608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.839608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.839608 (E_RNA) where: Base-Base interactions energy: -33.247 where: short stacking energy: -29.953 Base-Backbone interact. energy: -0.187 local terms energy: -43.405537 where: bonds (distance) C4'-P energy: -8.402 bonds (distance) P-C4' energy: -15.946 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -3.293 tors. eta vs tors. theta energy: -7.267 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: 1 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -165.684418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.684418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.684418 (E_RNA) where: Base-Base interactions energy: -101.269 where: short stacking energy: -68.725 Base-Backbone interact. energy: -0.001 local terms energy: -64.414705 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -13.646 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -8.387 tors. eta vs tors. theta energy: -18.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -144.534697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.534697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.534697 (E_RNA) where: Base-Base interactions energy: -90.482 where: short stacking energy: -57.010 Base-Backbone interact. energy: -0.858 local terms energy: -53.194182 where: bonds (distance) C4'-P energy: -11.411 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -12.267 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -7.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -148.945346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.945346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.945346 (E_RNA) where: Base-Base interactions energy: -93.709 where: short stacking energy: -52.684 Base-Backbone interact. energy: -0.823 local terms energy: -54.412993 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -11.118 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -11.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -110.827837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.827837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.827837 (E_RNA) where: Base-Base interactions energy: -55.128 where: short stacking energy: -49.736 Base-Backbone interact. energy: -0.145 local terms energy: -55.554675 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -8.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -137.810050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.810050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.810050 (E_RNA) where: Base-Base interactions energy: -84.656 where: short stacking energy: -44.959 Base-Backbone interact. energy: -0.170 local terms energy: -52.983968 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -9.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -92.011206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.011206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.011206 (E_RNA) where: Base-Base interactions energy: -45.918 where: short stacking energy: -30.146 Base-Backbone interact. energy: -0.378 local terms energy: -45.714657 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -5.663 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: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -93.643135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.643135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.643135 (E_RNA) where: Base-Base interactions energy: -40.283 where: short stacking energy: -40.283 Base-Backbone interact. energy: 0.619 local terms energy: -53.978553 where: bonds (distance) C4'-P energy: -10.170 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -7.864 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: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -80.507159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.507159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.507159 (E_RNA) where: Base-Base interactions energy: -32.386 where: short stacking energy: -31.810 Base-Backbone interact. energy: -0.029 local terms energy: -48.092011 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -11.994 flat angles P-C4'-P energy: -3.095 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: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -79.280870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.280870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.280870 (E_RNA) where: Base-Base interactions energy: -27.499 where: short stacking energy: -25.825 Base-Backbone interact. energy: -1.049 local terms energy: -50.733490 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -12.828 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -7.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -72.171935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.171935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.171935 (E_RNA) where: Base-Base interactions energy: -34.516 where: short stacking energy: -33.531 Base-Backbone interact. energy: -0.346 local terms energy: -37.309921 where: bonds (distance) C4'-P energy: -7.251 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -158.300624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.300624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.300624 (E_RNA) where: Base-Base interactions energy: -96.622 where: short stacking energy: -62.030 Base-Backbone interact. energy: -0.000 local terms energy: -61.678776 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -15.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -156.243699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.243699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.243699 (E_RNA) where: Base-Base interactions energy: -93.507 where: short stacking energy: -57.517 Base-Backbone interact. energy: -0.104 local terms energy: -62.632834 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -17.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -156.922399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.922399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.922399 (E_RNA) where: Base-Base interactions energy: -96.025 where: short stacking energy: -58.064 Base-Backbone interact. energy: -0.348 local terms energy: -60.549657 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -9.292 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: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -136.359147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.359147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.359147 (E_RNA) where: Base-Base interactions energy: -78.790 where: short stacking energy: -50.346 Base-Backbone interact. energy: -0.063 local terms energy: -57.505835 where: bonds (distance) C4'-P energy: -14.876 bonds (distance) P-C4' energy: -9.312 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -9.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -115.495294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.495294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.495294 (E_RNA) where: Base-Base interactions energy: -71.295 where: short stacking energy: -40.982 Base-Backbone interact. energy: 0.572 local terms energy: -44.772411 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -94.777185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.777185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.777185 (E_RNA) where: Base-Base interactions energy: -42.928 where: short stacking energy: -42.928 Base-Backbone interact. energy: -0.092 local terms energy: -51.756383 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -6.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -83.353409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.353409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.353409 (E_RNA) where: Base-Base interactions energy: -39.752 where: short stacking energy: -32.461 Base-Backbone interact. energy: -1.283 local terms energy: -42.318497 where: bonds (distance) C4'-P energy: -9.478 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -89.697756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.697756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.697756 (E_RNA) where: Base-Base interactions energy: -34.454 where: short stacking energy: -34.454 Base-Backbone interact. energy: -0.082 local terms energy: -55.161489 where: bonds (distance) C4'-P energy: -9.685 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -11.877 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -73.413951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.413951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.413951 (E_RNA) where: Base-Base interactions energy: -38.395 where: short stacking energy: -24.062 Base-Backbone interact. energy: 0.683 local terms energy: -35.701631 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -70.053065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.053065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.053065 (E_RNA) where: Base-Base interactions energy: -32.146 where: short stacking energy: -26.853 Base-Backbone interact. energy: -0.095 local terms energy: -37.812470 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -9.719 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -176.800375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.800375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.800375 (E_RNA) where: Base-Base interactions energy: -111.387 where: short stacking energy: -69.695 Base-Backbone interact. energy: -0.001 local terms energy: -65.412027 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -165.892861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.892861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.892861 (E_RNA) where: Base-Base interactions energy: -99.052 where: short stacking energy: -60.320 Base-Backbone interact. energy: -0.058 local terms energy: -66.782795 where: bonds (distance) C4'-P energy: -13.850 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -17.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -155.945851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.945851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.945851 (E_RNA) where: Base-Base interactions energy: -91.398 where: short stacking energy: -54.347 Base-Backbone interact. energy: -0.562 local terms energy: -63.986601 where: bonds (distance) C4'-P energy: -14.947 bonds (distance) P-C4' energy: -15.647 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -12.783 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: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -146.025900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.025900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.025900 (E_RNA) where: Base-Base interactions energy: -85.927 where: short stacking energy: -48.361 Base-Backbone interact. energy: -0.518 local terms energy: -59.580699 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -104.873449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.873449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.873449 (E_RNA) where: Base-Base interactions energy: -50.777 where: short stacking energy: -50.777 Base-Backbone interact. energy: 0.511 local terms energy: -54.607121 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -10.753 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -11.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -133.917134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.917134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.917134 (E_RNA) where: Base-Base interactions energy: -81.115 where: short stacking energy: -49.693 Base-Backbone interact. energy: -0.002 local terms energy: -52.800490 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -89.182445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.182445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.182445 (E_RNA) where: Base-Base interactions energy: -41.790 where: short stacking energy: -31.171 Base-Backbone interact. energy: -0.410 local terms energy: -46.982345 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -76.141263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.141263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.141263 (E_RNA) where: Base-Base interactions energy: -32.665 where: short stacking energy: -28.303 Base-Backbone interact. energy: -0.414 local terms energy: -43.063196 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -1.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -94.121014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.121014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.121014 (E_RNA) where: Base-Base interactions energy: -47.058 where: short stacking energy: -47.058 Base-Backbone interact. energy: -0.002 local terms energy: -47.060048 where: bonds (distance) C4'-P energy: -8.708 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -73.015649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.015649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.015649 (E_RNA) where: Base-Base interactions energy: -30.930 where: short stacking energy: -29.619 Base-Backbone interact. energy: -0.299 local terms energy: -41.786725 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -11.615 flat angles C4'-P-C4' energy: -11.059 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: 0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -162.146336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.146336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.146336 (E_RNA) where: Base-Base interactions energy: -102.078 where: short stacking energy: -68.916 Base-Backbone interact. energy: -0.001 local terms energy: -60.067553 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -17.359 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: 2, replica: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -160.376074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.376074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.376074 (E_RNA) where: Base-Base interactions energy: -98.119 where: short stacking energy: -62.873 Base-Backbone interact. energy: -0.343 local terms energy: -61.914356 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -11.157 flat angles C4'-P-C4' energy: -11.367 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -15.501 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: 401 Temperature: 1.000000 Total energy: -155.125562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.125562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.125562 (E_RNA) where: Base-Base interactions energy: -95.077 where: short stacking energy: -62.265 Base-Backbone interact. energy: -0.028 local terms energy: -60.021401 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -7.361 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: 4, replica: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -138.791084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.791084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.791084 (E_RNA) where: Base-Base interactions energy: -75.574 where: short stacking energy: -42.894 Base-Backbone interact. energy: -0.263 local terms energy: -62.954434 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -14.960 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -11.214 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: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -95.615321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.615321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.615321 (E_RNA) where: Base-Base interactions energy: -44.123 where: short stacking energy: -44.123 Base-Backbone interact. energy: -0.006 local terms energy: -51.486634 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -13.274 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -96.259203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.259203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.259203 (E_RNA) where: Base-Base interactions energy: -40.650 where: short stacking energy: -40.650 Base-Backbone interact. energy: -0.048 local terms energy: -55.561480 where: bonds (distance) C4'-P energy: -11.627 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -9.781 flat angles P-C4'-P energy: -10.598 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: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -108.897239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.897239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.897239 (E_RNA) where: Base-Base interactions energy: -59.849 where: short stacking energy: -42.959 Base-Backbone interact. energy: -0.080 local terms energy: -48.968607 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -9.913 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -90.110349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.110349 (E_RNA) where: Base-Base interactions energy: -30.505 where: short stacking energy: -30.710 Base-Backbone interact. energy: -0.102 local terms energy: -59.503019 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -6.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -72.499850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.499850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.499850 (E_RNA) where: Base-Base interactions energy: -28.482 where: short stacking energy: -23.861 Base-Backbone interact. energy: -0.093 local terms energy: -43.924982 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -10.403 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -81.561367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.561367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.561367 (E_RNA) where: Base-Base interactions energy: -42.073 where: short stacking energy: -41.813 Base-Backbone interact. energy: -0.001 local terms energy: -39.487570 where: bonds (distance) C4'-P energy: -8.079 bonds (distance) P-C4' energy: -5.387 flat angles C4'-P-C4' energy: -9.221 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -12.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -168.600070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.600070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.600070 (E_RNA) where: Base-Base interactions energy: -107.364 where: short stacking energy: -57.594 Base-Backbone interact. energy: 1.170 local terms energy: -62.406659 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -10.842 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -146.376698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.376698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.376698 (E_RNA) where: Base-Base interactions energy: -90.660 where: short stacking energy: -54.641 Base-Backbone interact. energy: 0.167 local terms energy: -55.883878 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -12.262 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -9.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -147.870444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.870444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.870444 (E_RNA) where: Base-Base interactions energy: -92.435 where: short stacking energy: -56.841 Base-Backbone interact. energy: -0.170 local terms energy: -55.265465 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -9.756 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -10.583 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: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -139.804016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.804016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.804016 (E_RNA) where: Base-Base interactions energy: -81.645 where: short stacking energy: -50.576 Base-Backbone interact. energy: -0.007 local terms energy: -58.151648 where: bonds (distance) C4'-P energy: -15.936 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -11.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -93.701446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.701446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.701446 (E_RNA) where: Base-Base interactions energy: -39.528 where: short stacking energy: -39.528 Base-Backbone interact. energy: -0.155 local terms energy: -54.018619 where: bonds (distance) C4'-P energy: -12.363 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -10.555 flat angles P-C4'-P energy: -9.647 tors. eta vs tors. theta energy: -8.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -90.759175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.759175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.759175 (E_RNA) where: Base-Base interactions energy: -37.826 where: short stacking energy: -36.495 Base-Backbone interact. energy: -0.236 local terms energy: -52.697131 where: bonds (distance) C4'-P energy: -10.405 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -5.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -93.781305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.781305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.781305 (E_RNA) where: Base-Base interactions energy: -43.624 where: short stacking energy: -43.624 Base-Backbone interact. energy: -0.001 local terms energy: -50.156727 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -11.623 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -6.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -83.792113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.792113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.792113 (E_RNA) where: Base-Base interactions energy: -40.244 where: short stacking energy: -30.728 Base-Backbone interact. energy: -0.106 local terms energy: -43.442805 where: bonds (distance) C4'-P energy: -8.594 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -67.926186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.926186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.926186 (E_RNA) where: Base-Base interactions energy: -32.741 where: short stacking energy: -32.741 Base-Backbone interact. energy: -0.135 local terms energy: -35.050368 where: bonds (distance) C4'-P energy: -9.547 bonds (distance) P-C4' energy: -10.650 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -4.769 tors. eta vs tors. theta energy: 1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -73.907574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.907574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.907574 (E_RNA) where: Base-Base interactions energy: -46.362 where: short stacking energy: -31.453 Base-Backbone interact. energy: -0.049 local terms energy: -27.496389 where: bonds (distance) C4'-P energy: -10.666 bonds (distance) P-C4' energy: -4.404 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -0.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -167.439462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.439462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.439462 (E_RNA) where: Base-Base interactions energy: -106.058 where: short stacking energy: -54.981 Base-Backbone interact. energy: -0.016 local terms energy: -61.364650 where: bonds (distance) C4'-P energy: -12.497 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -14.255 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -13.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -144.612404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.612404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.612404 (E_RNA) where: Base-Base interactions energy: -83.400 where: short stacking energy: -55.602 Base-Backbone interact. energy: -0.141 local terms energy: -61.071239 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -11.611 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: 8 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -149.583412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.583412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.583412 (E_RNA) where: Base-Base interactions energy: -90.272 where: short stacking energy: -58.595 Base-Backbone interact. energy: -0.138 local terms energy: -59.173017 where: bonds (distance) C4'-P energy: -12.202 bonds (distance) P-C4' energy: -12.822 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -13.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -124.999859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.999859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.999859 (E_RNA) where: Base-Base interactions energy: -70.741 where: short stacking energy: -42.951 Base-Backbone interact. energy: -0.028 local terms energy: -54.230656 where: bonds (distance) C4'-P energy: -13.721 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -8.293 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: 5, replica: 2 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -103.173411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.173411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.173411 (E_RNA) where: Base-Base interactions energy: -50.988 where: short stacking energy: -45.310 Base-Backbone interact. energy: -0.019 local terms energy: -52.166133 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -12.191 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -5.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -94.752013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.752013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.752013 (E_RNA) where: Base-Base interactions energy: -43.503 where: short stacking energy: -39.159 Base-Backbone interact. energy: -0.408 local terms energy: -50.841400 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -7.759 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: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -83.213495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.213495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.213495 (E_RNA) where: Base-Base interactions energy: -33.315 where: short stacking energy: -32.971 Base-Backbone interact. energy: -0.160 local terms energy: -49.738060 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -5.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -84.987997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.987997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.987997 (E_RNA) where: Base-Base interactions energy: -34.917 where: short stacking energy: -34.917 Base-Backbone interact. energy: -0.112 local terms energy: -49.959299 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -10.595 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -7.374 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: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -89.470075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.470075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.470075 (E_RNA) where: Base-Base interactions energy: -38.811 where: short stacking energy: -37.143 Base-Backbone interact. energy: 1.516 local terms energy: -52.175660 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -77.287043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.287043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.287043 (E_RNA) where: Base-Base interactions energy: -35.986 where: short stacking energy: -35.986 Base-Backbone interact. energy: -0.144 local terms energy: -41.156152 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -11.470 flat angles P-C4'-P energy: -1.138 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -172.977965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.977965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.977965 (E_RNA) where: Base-Base interactions energy: -110.461 where: short stacking energy: -70.028 Base-Backbone interact. energy: -0.366 local terms energy: -62.150282 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -11.390 flat angles P-C4'-P energy: -9.967 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: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -145.261663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.261663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.261663 (E_RNA) where: Base-Base interactions energy: -87.041 where: short stacking energy: -55.046 Base-Backbone interact. energy: -0.001 local terms energy: -58.219439 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -9.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -134.397484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.397484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.397484 (E_RNA) where: Base-Base interactions energy: -76.890 where: short stacking energy: -48.297 Base-Backbone interact. energy: -0.049 local terms energy: -57.458765 where: bonds (distance) C4'-P energy: -12.512 bonds (distance) P-C4' energy: -12.028 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -10.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -145.298682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.298682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.298682 (E_RNA) where: Base-Base interactions energy: -92.042 where: short stacking energy: -48.121 Base-Backbone interact. energy: -0.058 local terms energy: -53.198273 where: bonds (distance) C4'-P energy: -11.395 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -3.376 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: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -95.398015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.398015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.398015 (E_RNA) where: Base-Base interactions energy: -45.467 where: short stacking energy: -44.425 Base-Backbone interact. energy: -0.085 local terms energy: -49.845977 where: bonds (distance) C4'-P energy: -6.878 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -103.244838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.244838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.244838 (E_RNA) where: Base-Base interactions energy: -51.475 where: short stacking energy: -46.631 Base-Backbone interact. energy: -0.128 local terms energy: -51.642320 where: bonds (distance) C4'-P energy: -4.809 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -9.892 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: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -83.414498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.414498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.414498 (E_RNA) where: Base-Base interactions energy: -39.212 where: short stacking energy: -31.145 Base-Backbone interact. energy: -0.127 local terms energy: -44.075797 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -86.116303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.116303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.116303 (E_RNA) where: Base-Base interactions energy: -34.662 where: short stacking energy: -34.662 Base-Backbone interact. energy: 1.465 local terms energy: -52.919099 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -14.251 flat angles C4'-P-C4' energy: -9.885 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -96.575211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.575211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.575211 (E_RNA) where: Base-Base interactions energy: -42.776 where: short stacking energy: -42.558 Base-Backbone interact. energy: -0.096 local terms energy: -53.703358 where: bonds (distance) C4'-P energy: -9.010 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -12.395 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: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -69.935663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.935663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.935663 (E_RNA) where: Base-Base interactions energy: -25.393 where: short stacking energy: -20.905 Base-Backbone interact. energy: -0.257 local terms energy: -44.286075 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -8.577 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -166.574791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.574791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.574791 (E_RNA) where: Base-Base interactions energy: -102.091 where: short stacking energy: -63.332 Base-Backbone interact. energy: -0.675 local terms energy: -63.808864 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -7.403 tors. eta vs tors. theta energy: -14.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -148.545168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.545168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.545168 (E_RNA) where: Base-Base interactions energy: -85.166 where: short stacking energy: -55.324 Base-Backbone interact. energy: -0.009 local terms energy: -63.370362 where: bonds (distance) C4'-P energy: -11.975 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -8.986 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: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -141.372805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.372805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.372805 (E_RNA) where: Base-Base interactions energy: -83.795 where: short stacking energy: -56.837 Base-Backbone interact. energy: -0.068 local terms energy: -57.510095 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -11.378 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -146.893561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.893561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.893561 (E_RNA) where: Base-Base interactions energy: -93.953 where: short stacking energy: -49.850 Base-Backbone interact. energy: 0.099 local terms energy: -53.040292 where: bonds (distance) C4'-P energy: -14.143 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -94.712562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.712562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.712562 (E_RNA) where: Base-Base interactions energy: -45.834 where: short stacking energy: -33.719 Base-Backbone interact. energy: -0.396 local terms energy: -48.482545 where: bonds (distance) C4'-P energy: -15.597 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -3.589 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: 6, replica: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -92.232182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.232182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.232182 (E_RNA) where: Base-Base interactions energy: -37.667 where: short stacking energy: -37.034 Base-Backbone interact. energy: -0.184 local terms energy: -54.380710 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -15.939 flat angles C4'-P-C4' energy: -10.293 flat angles P-C4'-P energy: -11.189 tors. eta vs tors. theta energy: -6.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -88.777307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.777307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.777307 (E_RNA) where: Base-Base interactions energy: -39.684 where: short stacking energy: -35.593 Base-Backbone interact. energy: -0.132 local terms energy: -48.961099 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -87.963835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.963835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.963835 (E_RNA) where: Base-Base interactions energy: -42.814 where: short stacking energy: -42.752 Base-Backbone interact. energy: -0.003 local terms energy: -45.147461 where: bonds (distance) C4'-P energy: -9.044 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -11.452 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -8.096 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: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -69.087792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.087792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.087792 (E_RNA) where: Base-Base interactions energy: -27.414 where: short stacking energy: -27.279 Base-Backbone interact. energy: -0.301 local terms energy: -41.372849 where: bonds (distance) C4'-P energy: -13.589 bonds (distance) P-C4' energy: -12.610 flat angles C4'-P-C4' energy: -10.141 flat angles P-C4'-P energy: -9.027 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: 10, replica: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -75.899944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.899944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.899944 (E_RNA) where: Base-Base interactions energy: -30.026 where: short stacking energy: -30.026 Base-Backbone interact. energy: -0.153 local terms energy: -45.721281 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -10.614 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -9.712 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: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -158.906735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.906735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.906735 (E_RNA) where: Base-Base interactions energy: -99.211 where: short stacking energy: -56.896 Base-Backbone interact. energy: -0.073 local terms energy: -59.622431 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -149.509116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.509116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.509116 (E_RNA) where: Base-Base interactions energy: -97.641 where: short stacking energy: -62.521 Base-Backbone interact. energy: -0.076 local terms energy: -51.792115 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -10.984 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: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -150.466461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.466461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.466461 (E_RNA) where: Base-Base interactions energy: -90.202 where: short stacking energy: -58.701 Base-Backbone interact. energy: -0.007 local terms energy: -60.258047 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -12.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -140.548131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.548131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.548131 (E_RNA) where: Base-Base interactions energy: -84.565 where: short stacking energy: -53.528 Base-Backbone interact. energy: -0.253 local terms energy: -55.729571 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -11.720 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -10.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -93.766446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.766446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.766446 (E_RNA) where: Base-Base interactions energy: -36.735 where: short stacking energy: -36.735 Base-Backbone interact. energy: 0.165 local terms energy: -57.196316 where: bonds (distance) C4'-P energy: -11.758 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: -8.976 tors. eta vs tors. theta energy: -8.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -79.380421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.380421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.380421 (E_RNA) where: Base-Base interactions energy: -32.956 where: short stacking energy: -32.956 Base-Backbone interact. energy: -0.130 local terms energy: -46.294498 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -1.195 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: 406 Temperature: 1.200000 Total energy: -91.864740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.864740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.864740 (E_RNA) where: Base-Base interactions energy: -37.619 where: short stacking energy: -32.892 Base-Backbone interact. energy: -0.011 local terms energy: -54.234752 where: bonds (distance) C4'-P energy: -12.045 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -8.231 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: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -87.210607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.210607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.210607 (E_RNA) where: Base-Base interactions energy: -37.257 where: short stacking energy: -37.257 Base-Backbone interact. energy: -0.026 local terms energy: -49.928308 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -9.832 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: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -74.075512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.075512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.075512 (E_RNA) where: Base-Base interactions energy: -24.816 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.086 local terms energy: -49.173774 where: bonds (distance) C4'-P energy: -15.158 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -77.499576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.499576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.499576 (E_RNA) where: Base-Base interactions energy: -35.646 where: short stacking energy: -35.646 Base-Backbone interact. energy: -0.121 local terms energy: -41.732334 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -161.949789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.949789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.949789 (E_RNA) where: Base-Base interactions energy: -94.031 where: short stacking energy: -57.827 Base-Backbone interact. energy: -0.003 local terms energy: -67.915177 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -12.092 tors. eta vs tors. theta energy: -12.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -164.782104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.782104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.782104 (E_RNA) where: Base-Base interactions energy: -104.001 where: short stacking energy: -56.243 Base-Backbone interact. energy: -0.219 local terms energy: -60.561609 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -11.411 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -6.863 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: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -142.095784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.095784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.095784 (E_RNA) where: Base-Base interactions energy: -87.958 where: short stacking energy: -59.129 Base-Backbone interact. energy: -0.013 local terms energy: -54.125202 where: bonds (distance) C4'-P energy: -7.408 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -9.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -148.528350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.528350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.528350 (E_RNA) where: Base-Base interactions energy: -85.217 where: short stacking energy: -52.348 Base-Backbone interact. energy: -1.324 local terms energy: -61.987036 where: bonds (distance) C4'-P energy: -12.675 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -10.537 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: 5, replica: 2 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -104.927884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.927884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.927884 (E_RNA) where: Base-Base interactions energy: -46.767 where: short stacking energy: -45.794 Base-Backbone interact. energy: -0.072 local terms energy: -58.089645 where: bonds (distance) C4'-P energy: -10.385 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -11.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -95.434041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.434041 (E_RNA) where: Base-Base interactions energy: -45.599 where: short stacking energy: -44.549 Base-Backbone interact. energy: 1.273 local terms energy: -51.107778 where: bonds (distance) C4'-P energy: -14.006 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -9.595 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -10.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -82.945346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.945346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.945346 (E_RNA) where: Base-Base interactions energy: -42.466 where: short stacking energy: -38.926 Base-Backbone interact. energy: 0.536 local terms energy: -41.014795 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -9.539 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -99.089883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.089883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.089883 (E_RNA) where: Base-Base interactions energy: -46.672 where: short stacking energy: -46.672 Base-Backbone interact. energy: -0.123 local terms energy: -52.294486 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -8.415 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: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -72.275359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.275359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.275359 (E_RNA) where: Base-Base interactions energy: -30.557 where: short stacking energy: -30.572 Base-Backbone interact. energy: -0.164 local terms energy: -41.553998 where: bonds (distance) C4'-P energy: -10.215 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -3.190 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -77.147834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.147834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.147834 (E_RNA) where: Base-Base interactions energy: -34.937 where: short stacking energy: -35.037 Base-Backbone interact. energy: -0.036 local terms energy: -42.175168 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -9.743 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -161.687364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.687364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.687364 (E_RNA) where: Base-Base interactions energy: -95.917 where: short stacking energy: -65.350 Base-Backbone interact. energy: -0.078 local terms energy: -65.692636 where: bonds (distance) C4'-P energy: -12.782 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -15.475 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: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -171.467944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.467944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.467944 (E_RNA) where: Base-Base interactions energy: -107.859 where: short stacking energy: -65.092 Base-Backbone interact. energy: -0.001 local terms energy: -63.608229 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -18.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -138.965722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.965722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.965722 (E_RNA) where: Base-Base interactions energy: -84.653 where: short stacking energy: -55.456 Base-Backbone interact. energy: -0.005 local terms energy: -54.308235 where: bonds (distance) C4'-P energy: -10.306 bonds (distance) P-C4' energy: -10.436 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -7.969 tors. eta vs tors. theta energy: -13.432 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: 408 Temperature: 1.050000 Total energy: -149.269221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.269221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.269221 (E_RNA) where: Base-Base interactions energy: -88.996 where: short stacking energy: -59.468 Base-Backbone interact. energy: 0.956 local terms energy: -61.229288 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -10.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -90.660162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.660162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.660162 (E_RNA) where: Base-Base interactions energy: -41.714 where: short stacking energy: -28.941 Base-Backbone interact. energy: -0.016 local terms energy: -48.930050 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -9.133 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -109.749805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.749805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.749805 (E_RNA) where: Base-Base interactions energy: -48.095 where: short stacking energy: -48.095 Base-Backbone interact. energy: -0.102 local terms energy: -61.551868 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -10.814 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -12.495 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: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -91.839950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.839950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.839950 (E_RNA) where: Base-Base interactions energy: -38.412 where: short stacking energy: -38.034 Base-Backbone interact. energy: -0.001 local terms energy: -53.427361 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -11.183 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -9.476 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: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -89.752213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.752213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.752213 (E_RNA) where: Base-Base interactions energy: -47.742 where: short stacking energy: -38.157 Base-Backbone interact. energy: -0.136 local terms energy: -41.873624 where: bonds (distance) C4'-P energy: -7.648 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -10.112 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -89.048982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.048982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.048982 (E_RNA) where: Base-Base interactions energy: -40.930 where: short stacking energy: -23.798 Base-Backbone interact. energy: -0.041 local terms energy: -48.078392 where: bonds (distance) C4'-P energy: -13.063 bonds (distance) P-C4' energy: -10.728 flat angles C4'-P-C4' energy: -10.112 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -4.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -78.973719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.973719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.973719 (E_RNA) where: Base-Base interactions energy: -35.607 where: short stacking energy: -33.777 Base-Backbone interact. energy: -0.140 local terms energy: -43.227443 where: bonds (distance) C4'-P energy: -5.579 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -8.752 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: 1, replica: 1 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -159.750968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.750968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.750968 (E_RNA) where: Base-Base interactions energy: -96.139 where: short stacking energy: -56.342 Base-Backbone interact. energy: -0.004 local terms energy: -63.607780 where: bonds (distance) C4'-P energy: -14.322 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -12.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -158.723170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.723170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.723170 (E_RNA) where: Base-Base interactions energy: -95.244 where: short stacking energy: -55.494 Base-Backbone interact. energy: -1.292 local terms energy: -62.187676 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -10.974 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: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -137.697306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.697306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.697306 (E_RNA) where: Base-Base interactions energy: -83.270 where: short stacking energy: -49.091 Base-Backbone interact. energy: -0.086 local terms energy: -54.341495 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -8.935 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -9.618 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: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -136.346452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.346452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.346452 (E_RNA) where: Base-Base interactions energy: -79.124 where: short stacking energy: -50.262 Base-Backbone interact. energy: -0.102 local terms energy: -57.120314 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -11.739 tors. eta vs tors. theta energy: -11.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -104.888894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.888894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.888894 (E_RNA) where: Base-Base interactions energy: -49.674 where: short stacking energy: -49.674 Base-Backbone interact. energy: -0.103 local terms energy: -55.112050 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -89.294049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.294049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.294049 (E_RNA) where: Base-Base interactions energy: -40.638 where: short stacking energy: -27.751 Base-Backbone interact. energy: -0.043 local terms energy: -48.613561 where: bonds (distance) C4'-P energy: -14.284 bonds (distance) P-C4' energy: -13.443 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: 0.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -85.229156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.229156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.229156 (E_RNA) where: Base-Base interactions energy: -33.044 where: short stacking energy: -31.227 Base-Backbone interact. energy: -0.112 local terms energy: -52.073786 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -9.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -86.514071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.514071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.514071 (E_RNA) where: Base-Base interactions energy: -40.600 where: short stacking energy: -34.832 Base-Backbone interact. energy: -0.061 local terms energy: -45.852950 where: bonds (distance) C4'-P energy: -8.538 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -6.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -74.099787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.099787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.099787 (E_RNA) where: Base-Base interactions energy: -30.645 where: short stacking energy: -27.157 Base-Backbone interact. energy: -0.516 local terms energy: -42.938762 where: bonds (distance) C4'-P energy: -8.281 bonds (distance) P-C4' energy: -12.097 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -75.105834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.105834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.105834 (E_RNA) where: Base-Base interactions energy: -31.919 where: short stacking energy: -31.114 Base-Backbone interact. energy: -0.310 local terms energy: -42.876736 where: bonds (distance) C4'-P energy: -11.982 bonds (distance) P-C4' energy: -12.121 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -168.577029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.577029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.577029 (E_RNA) where: Base-Base interactions energy: -103.848 where: short stacking energy: -67.802 Base-Backbone interact. energy: -0.147 local terms energy: -64.582551 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -14.700 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: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -162.674685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.674685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.674685 (E_RNA) where: Base-Base interactions energy: -98.659 where: short stacking energy: -56.304 Base-Backbone interact. energy: -0.201 local terms energy: -63.814894 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -12.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -154.131095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.131095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.131095 (E_RNA) where: Base-Base interactions energy: -94.386 where: short stacking energy: -53.091 Base-Backbone interact. energy: -0.785 local terms energy: -58.959780 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -13.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -127.372619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.372619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.372619 (E_RNA) where: Base-Base interactions energy: -72.477 where: short stacking energy: -43.041 Base-Backbone interact. energy: -0.083 local terms energy: -54.811976 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -11.016 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -115.149798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.149798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.149798 (E_RNA) where: Base-Base interactions energy: -57.010 where: short stacking energy: -52.237 Base-Backbone interact. energy: -0.003 local terms energy: -58.136140 where: bonds (distance) C4'-P energy: -11.494 bonds (distance) P-C4' energy: -14.041 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -9.106 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: 6, replica: 4 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -85.607078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.607078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.607078 (E_RNA) where: Base-Base interactions energy: -27.020 where: short stacking energy: -26.903 Base-Backbone interact. energy: -0.037 local terms energy: -58.549460 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -90.788518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.788518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.788518 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -37.542 Base-Backbone interact. energy: -0.205 local terms energy: -51.112245 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -6.294 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -88.809036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.809036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.809036 (E_RNA) where: Base-Base interactions energy: -42.940 where: short stacking energy: -29.091 Base-Backbone interact. energy: -0.059 local terms energy: -45.809681 where: bonds (distance) C4'-P energy: -11.589 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -9.457 tors. eta vs tors. theta energy: -5.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -77.456609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.456609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.456609 (E_RNA) where: Base-Base interactions energy: -35.440 where: short stacking energy: -29.917 Base-Backbone interact. energy: -0.355 local terms energy: -41.661947 where: bonds (distance) C4'-P energy: -12.231 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -10.258 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -72.417645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.417645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.417645 (E_RNA) where: Base-Base interactions energy: -24.328 where: short stacking energy: -20.674 Base-Backbone interact. energy: -0.010 local terms energy: -48.079389 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -7.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -174.206862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.206862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.206862 (E_RNA) where: Base-Base interactions energy: -107.211 where: short stacking energy: -72.281 Base-Backbone interact. energy: -0.001 local terms energy: -66.995420 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -18.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -166.272639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.272639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.272639 (E_RNA) where: Base-Base interactions energy: -101.792 where: short stacking energy: -56.463 Base-Backbone interact. energy: -0.040 local terms energy: -64.439952 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -6.735 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: 3, replica: 6 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -157.011571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.011571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.011571 (E_RNA) where: Base-Base interactions energy: -95.115 where: short stacking energy: -52.649 Base-Backbone interact. energy: -0.136 local terms energy: -61.760878 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -10.544 tors. eta vs tors. theta energy: -10.642 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: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -126.268124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.268124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.268124 (E_RNA) where: Base-Base interactions energy: -71.812 where: short stacking energy: -40.650 Base-Backbone interact. energy: -0.151 local terms energy: -54.305591 where: bonds (distance) C4'-P energy: -11.184 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -9.366 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -8.982 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: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -147.249825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.249825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.249825 (E_RNA) where: Base-Base interactions energy: -86.199 where: short stacking energy: -45.037 Base-Backbone interact. energy: -0.051 local terms energy: -60.998982 where: bonds (distance) C4'-P energy: -12.612 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -11.740 flat angles P-C4'-P energy: -10.988 tors. eta vs tors. theta energy: -12.781 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: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -110.652622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.652622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.652622 (E_RNA) where: Base-Base interactions energy: -54.630 where: short stacking energy: -38.489 Base-Backbone interact. energy: -0.057 local terms energy: -55.965228 where: bonds (distance) C4'-P energy: -13.502 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -11.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -85.809168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.809168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.809168 (E_RNA) where: Base-Base interactions energy: -44.739 where: short stacking energy: -35.825 Base-Backbone interact. energy: -0.522 local terms energy: -40.548300 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -8.208 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: 8, replica: 5 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -72.106164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.106164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.106164 (E_RNA) where: Base-Base interactions energy: -27.758 where: short stacking energy: -25.006 Base-Backbone interact. energy: 1.077 local terms energy: -45.425653 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -78.113092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.113092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.113092 (E_RNA) where: Base-Base interactions energy: -34.097 where: short stacking energy: -34.097 Base-Backbone interact. energy: -0.010 local terms energy: -44.005909 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -8.925 flat angles C4'-P-C4' energy: -11.895 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -2.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -82.124536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.124536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.124536 (E_RNA) where: Base-Base interactions energy: -41.221 where: short stacking energy: -35.216 Base-Backbone interact. energy: 0.219 local terms energy: -41.122075 where: bonds (distance) C4'-P energy: -9.814 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -2.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -159.379759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.379759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.379759 (E_RNA) where: Base-Base interactions energy: -97.318 where: short stacking energy: -61.941 Base-Backbone interact. energy: -0.053 local terms energy: -62.008462 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -12.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -161.621041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.621041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.621041 (E_RNA) where: Base-Base interactions energy: -97.870 where: short stacking energy: -57.881 Base-Backbone interact. energy: -0.041 local terms energy: -63.710709 where: bonds (distance) C4'-P energy: -14.682 bonds (distance) P-C4' energy: -10.300 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -10.607 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: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -152.466695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.466695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.466695 (E_RNA) where: Base-Base interactions energy: -94.491 where: short stacking energy: -57.559 Base-Backbone interact. energy: 0.575 local terms energy: -58.551028 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -13.896 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: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -124.306246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.306246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.306246 (E_RNA) where: Base-Base interactions energy: -71.408 where: short stacking energy: -44.785 Base-Backbone interact. energy: -0.016 local terms energy: -52.882873 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -5.605 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -138.249632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.249632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.249632 (E_RNA) where: Base-Base interactions energy: -82.550 where: short stacking energy: -42.653 Base-Backbone interact. energy: -0.475 local terms energy: -55.224417 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -6.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -111.288946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.288946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.288946 (E_RNA) where: Base-Base interactions energy: -56.107 where: short stacking energy: -51.432 Base-Backbone interact. energy: -0.011 local terms energy: -55.171291 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -12.332 flat angles P-C4'-P energy: -7.945 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: 7, replica: 5 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -104.249588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.249588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.249588 (E_RNA) where: Base-Base interactions energy: -49.346 where: short stacking energy: -46.908 Base-Backbone interact. energy: -0.085 local terms energy: -54.818829 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -8.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -83.343946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.343946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.343946 (E_RNA) where: Base-Base interactions energy: -33.402 where: short stacking energy: -31.974 Base-Backbone interact. energy: -0.241 local terms energy: -49.700878 where: bonds (distance) C4'-P energy: -8.972 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -4.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -91.597396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.597396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.597396 (E_RNA) where: Base-Base interactions energy: -37.211 where: short stacking energy: -37.211 Base-Backbone interact. energy: -0.167 local terms energy: -54.218795 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -9.619 tors. eta vs tors. theta energy: -4.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -77.298618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.298618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.298618 (E_RNA) where: Base-Base interactions energy: -27.081 where: short stacking energy: -24.874 Base-Backbone interact. energy: -0.174 local terms energy: -50.044155 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -11.465 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -6.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -154.204530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.204530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.204530 (E_RNA) where: Base-Base interactions energy: -89.951 where: short stacking energy: -57.514 Base-Backbone interact. energy: -0.119 local terms energy: -64.135056 where: bonds (distance) C4'-P energy: -12.628 bonds (distance) P-C4' energy: -14.815 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -11.485 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: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -158.381508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.381508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.381508 (E_RNA) where: Base-Base interactions energy: -100.640 where: short stacking energy: -52.133 Base-Backbone interact. energy: -0.373 local terms energy: -57.368255 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -8.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -152.334972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.334972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.334972 (E_RNA) where: Base-Base interactions energy: -92.448 where: short stacking energy: -60.183 Base-Backbone interact. energy: -0.087 local terms energy: -59.799782 where: bonds (distance) C4'-P energy: -9.437 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -14.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -150.012479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.012479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.012479 (E_RNA) where: Base-Base interactions energy: -90.184 where: short stacking energy: -52.689 Base-Backbone interact. energy: 0.150 local terms energy: -59.978304 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -12.193 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -11.754 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: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -133.286351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.286351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.286351 (E_RNA) where: Base-Base interactions energy: -79.508 where: short stacking energy: -44.377 Base-Backbone interact. energy: -0.005 local terms energy: -53.774129 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -11.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -89.590871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.590871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.590871 (E_RNA) where: Base-Base interactions energy: -45.526 where: short stacking energy: -45.526 Base-Backbone interact. energy: -0.042 local terms energy: -44.022828 where: bonds (distance) C4'-P energy: -7.376 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -6.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -85.360541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.360541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.360541 (E_RNA) where: Base-Base interactions energy: -32.625 where: short stacking energy: -32.625 Base-Backbone interact. energy: -0.011 local terms energy: -52.725036 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -12.899 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -6.089 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: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -77.392633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.392633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.392633 (E_RNA) where: Base-Base interactions energy: -27.078 where: short stacking energy: -24.161 Base-Backbone interact. energy: -0.019 local terms energy: -50.295194 where: bonds (distance) C4'-P energy: -13.449 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -5.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -88.121985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.121985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.121985 (E_RNA) where: Base-Base interactions energy: -43.620 where: short stacking energy: -43.271 Base-Backbone interact. energy: -0.107 local terms energy: -44.395616 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -8.262 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: 3 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -70.871568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.871568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.871568 (E_RNA) where: Base-Base interactions energy: -26.526 where: short stacking energy: -16.451 Base-Backbone interact. energy: -0.112 local terms energy: -44.233403 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -154.552620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.552620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.552620 (E_RNA) where: Base-Base interactions energy: -89.893 where: short stacking energy: -58.646 Base-Backbone interact. energy: -0.094 local terms energy: -64.565712 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: -14.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -154.978238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.978238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.978238 (E_RNA) where: Base-Base interactions energy: -91.966 where: short stacking energy: -57.067 Base-Backbone interact. energy: 0.206 local terms energy: -63.218366 where: bonds (distance) C4'-P energy: -14.102 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -155.650694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.650694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.650694 (E_RNA) where: Base-Base interactions energy: -97.268 where: short stacking energy: -56.878 Base-Backbone interact. energy: -0.781 local terms energy: -57.601356 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -9.532 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -6.584 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: 4, replica: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -143.804528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.804528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.804528 (E_RNA) where: Base-Base interactions energy: -88.224 where: short stacking energy: -56.027 Base-Backbone interact. energy: 0.145 local terms energy: -55.725734 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -10.431 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -12.253 tors. eta vs tors. theta energy: -10.650 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: 414 Temperature: 1.100000 Total energy: -142.155896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.155896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.155896 (E_RNA) where: Base-Base interactions energy: -84.927 where: short stacking energy: -55.565 Base-Backbone interact. energy: -0.001 local terms energy: -57.227550 where: bonds (distance) C4'-P energy: -11.475 bonds (distance) P-C4' energy: -10.129 flat angles C4'-P-C4' energy: -13.945 flat angles P-C4'-P energy: -10.559 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: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -91.026869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.026869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.026869 (E_RNA) where: Base-Base interactions energy: -37.206 where: short stacking energy: -36.735 Base-Backbone interact. energy: -0.023 local terms energy: -53.797675 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -12.245 flat angles C4'-P-C4' energy: -11.177 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -90.112799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.112799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.112799 (E_RNA) where: Base-Base interactions energy: -36.460 where: short stacking energy: -36.093 Base-Backbone interact. energy: -0.137 local terms energy: -53.515887 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -85.057824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.057824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.057824 (E_RNA) where: Base-Base interactions energy: -41.016 where: short stacking energy: -36.369 Base-Backbone interact. energy: -0.213 local terms energy: -43.828801 where: bonds (distance) C4'-P energy: -9.803 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -13.062 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -82.676555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.676555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.676555 (E_RNA) where: Base-Base interactions energy: -36.506 where: short stacking energy: -35.766 Base-Backbone interact. energy: -0.931 local terms energy: -45.239775 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -9.201 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -70.400420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.400420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.400420 (E_RNA) where: Base-Base interactions energy: -34.839 where: short stacking energy: -32.455 Base-Backbone interact. energy: -0.076 local terms energy: -35.485476 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -9.155 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -159.691502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.691502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.691502 (E_RNA) where: Base-Base interactions energy: -101.388 where: short stacking energy: -62.513 Base-Backbone interact. energy: -0.013 local terms energy: -58.290170 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -12.220 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: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -162.013241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.013241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.013241 (E_RNA) where: Base-Base interactions energy: -99.098 where: short stacking energy: -63.590 Base-Backbone interact. energy: -0.001 local terms energy: -62.914538 where: bonds (distance) C4'-P energy: -10.911 bonds (distance) P-C4' energy: -15.225 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -135.948846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.948846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.948846 (E_RNA) where: Base-Base interactions energy: -76.096 where: short stacking energy: -43.959 Base-Backbone interact. energy: -0.043 local terms energy: -59.809549 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -145.816311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.816311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.816311 (E_RNA) where: Base-Base interactions energy: -86.689 where: short stacking energy: -59.096 Base-Backbone interact. energy: -0.034 local terms energy: -59.093464 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -11.183 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: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -133.963435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.963435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.963435 (E_RNA) where: Base-Base interactions energy: -81.613 where: short stacking energy: -38.128 Base-Backbone interact. energy: -0.038 local terms energy: -52.311922 where: bonds (distance) C4'-P energy: -10.389 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -5.220 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: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -102.413185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.413185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.413185 (E_RNA) where: Base-Base interactions energy: -47.758 where: short stacking energy: -45.180 Base-Backbone interact. energy: -0.409 local terms energy: -54.246740 where: bonds (distance) C4'-P energy: -10.571 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -10.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -93.898221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.898221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.898221 (E_RNA) where: Base-Base interactions energy: -47.089 where: short stacking energy: -40.820 Base-Backbone interact. energy: 0.566 local terms energy: -47.374897 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -5.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -89.766238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.766238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.766238 (E_RNA) where: Base-Base interactions energy: -39.333 where: short stacking energy: -36.747 Base-Backbone interact. energy: 0.277 local terms energy: -50.710238 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -85.545587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.545587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.545587 (E_RNA) where: Base-Base interactions energy: -43.892 where: short stacking energy: -34.149 Base-Backbone interact. energy: -0.418 local terms energy: -41.235058 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -4.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -77.623628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.623628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.623628 (E_RNA) where: Base-Base interactions energy: -32.186 where: short stacking energy: -32.186 Base-Backbone interact. energy: -0.129 local terms energy: -45.308752 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -9.390 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -2.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -156.040684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.040684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.040684 (E_RNA) where: Base-Base interactions energy: -100.591 where: short stacking energy: -60.512 Base-Backbone interact. energy: -0.938 local terms energy: -54.510933 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -10.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -160.661336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.661336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.661336 (E_RNA) where: Base-Base interactions energy: -101.487 where: short stacking energy: -62.864 Base-Backbone interact. energy: -0.003 local terms energy: -59.171003 where: bonds (distance) C4'-P energy: -7.460 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -11.237 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -16.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -154.762058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.762058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.762058 (E_RNA) where: Base-Base interactions energy: -93.098 where: short stacking energy: -63.812 Base-Backbone interact. energy: -0.041 local terms energy: -61.623393 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -13.978 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: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -155.899539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.899539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.899539 (E_RNA) where: Base-Base interactions energy: -89.934 where: short stacking energy: -61.753 Base-Backbone interact. energy: -0.006 local terms energy: -65.960135 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -14.838 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: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -104.172786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.172786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.172786 (E_RNA) where: Base-Base interactions energy: -50.005 where: short stacking energy: -46.986 Base-Backbone interact. energy: -0.077 local terms energy: -54.090707 where: bonds (distance) C4'-P energy: -8.890 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -10.889 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: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -134.505166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.505166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.505166 (E_RNA) where: Base-Base interactions energy: -78.224 where: short stacking energy: -48.698 Base-Backbone interact. energy: -0.032 local terms energy: -56.249199 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -100.610774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.610774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.610774 (E_RNA) where: Base-Base interactions energy: -50.156 where: short stacking energy: -44.979 Base-Backbone interact. energy: 0.608 local terms energy: -51.062805 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -12.102 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -7.651 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: 8, replica: 5 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -81.946113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.946113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.946113 (E_RNA) where: Base-Base interactions energy: -32.457 where: short stacking energy: -28.582 Base-Backbone interact. energy: -0.249 local terms energy: -49.240285 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -9.900 flat angles P-C4'-P energy: -12.167 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -88.845529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.845529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.845529 (E_RNA) where: Base-Base interactions energy: -35.397 where: short stacking energy: -28.930 Base-Backbone interact. energy: -0.585 local terms energy: -52.864236 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -8.930 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -75.611065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.611065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.611065 (E_RNA) where: Base-Base interactions energy: -30.892 where: short stacking energy: -30.155 Base-Backbone interact. energy: -0.172 local terms energy: -44.546620 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -10.557 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -6.738 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -156.233732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.233732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.233732 (E_RNA) where: Base-Base interactions energy: -100.956 where: short stacking energy: -57.272 Base-Backbone interact. energy: 0.843 local terms energy: -56.121078 where: bonds (distance) C4'-P energy: -12.309 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -10.056 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -14.660 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: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -153.496101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.496101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.496101 (E_RNA) where: Base-Base interactions energy: -91.101 where: short stacking energy: -57.866 Base-Backbone interact. energy: -0.220 local terms energy: -62.174921 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -5.216 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: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -146.314373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.314373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.314373 (E_RNA) where: Base-Base interactions energy: -90.871 where: short stacking energy: -58.347 Base-Backbone interact. energy: 0.212 local terms energy: -55.655890 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -12.548 flat angles P-C4'-P energy: -5.903 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: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -138.788254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.788254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.788254 (E_RNA) where: Base-Base interactions energy: -86.717 where: short stacking energy: -58.271 Base-Backbone interact. energy: -0.019 local terms energy: -52.052648 where: bonds (distance) C4'-P energy: -8.668 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -10.552 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: 5, replica: 9 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -103.759431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.759431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.759431 (E_RNA) where: Base-Base interactions energy: -57.287 where: short stacking energy: -54.142 Base-Backbone interact. energy: -0.229 local terms energy: -46.242737 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -129.909341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.909341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.909341 (E_RNA) where: Base-Base interactions energy: -77.504 where: short stacking energy: -45.822 Base-Backbone interact. energy: -0.052 local terms energy: -52.353182 where: bonds (distance) C4'-P energy: -11.672 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -9.492 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: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -93.811618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.811618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.811618 (E_RNA) where: Base-Base interactions energy: -46.351 where: short stacking energy: -36.805 Base-Backbone interact. energy: -0.322 local terms energy: -47.138925 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -5.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -84.122682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.122682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.122682 (E_RNA) where: Base-Base interactions energy: -41.079 where: short stacking energy: -37.928 Base-Backbone interact. energy: -1.130 local terms energy: -41.913967 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -10.101 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -7.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -79.986968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.986968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.986968 (E_RNA) where: Base-Base interactions energy: -39.347 where: short stacking energy: -35.749 Base-Backbone interact. energy: -0.004 local terms energy: -40.635848 where: bonds (distance) C4'-P energy: -8.794 bonds (distance) P-C4' energy: -14.255 flat angles C4'-P-C4' energy: -10.065 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -89.196730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.196730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.196730 (E_RNA) where: Base-Base interactions energy: -44.906 where: short stacking energy: -43.283 Base-Backbone interact. energy: -0.173 local terms energy: -44.118269 where: bonds (distance) C4'-P energy: -8.338 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -172.646323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.646323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.646323 (E_RNA) where: Base-Base interactions energy: -111.476 where: short stacking energy: -66.743 Base-Backbone interact. energy: -0.001 local terms energy: -61.168364 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -6.470 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: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -169.171738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.171738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.171738 (E_RNA) where: Base-Base interactions energy: -111.395 where: short stacking energy: -64.493 Base-Backbone interact. energy: -0.001 local terms energy: -57.775057 where: bonds (distance) C4'-P energy: -9.939 bonds (distance) P-C4' energy: -9.002 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -17.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -154.139222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.139222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.139222 (E_RNA) where: Base-Base interactions energy: -90.039 where: short stacking energy: -59.590 Base-Backbone interact. energy: -0.229 local terms energy: -63.871472 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -5.885 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: 4, replica: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -140.646752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.646752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.646752 (E_RNA) where: Base-Base interactions energy: -82.380 where: short stacking energy: -61.849 Base-Backbone interact. energy: -0.001 local terms energy: -58.266033 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -11.152 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -136.429271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.429271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.429271 (E_RNA) where: Base-Base interactions energy: -83.444 where: short stacking energy: -55.035 Base-Backbone interact. energy: 0.137 local terms energy: -53.121983 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -9.842 flat angles C4'-P-C4' energy: -10.551 flat angles P-C4'-P energy: -10.959 tors. eta vs tors. theta energy: -7.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -89.983232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.983232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.983232 (E_RNA) where: Base-Base interactions energy: -48.007 where: short stacking energy: -29.135 Base-Backbone interact. energy: -0.672 local terms energy: -41.304538 where: bonds (distance) C4'-P energy: -11.407 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: 0.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -83.224470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.224470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.224470 (E_RNA) where: Base-Base interactions energy: -35.418 where: short stacking energy: -35.418 Base-Backbone interact. energy: -0.001 local terms energy: -47.805472 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -15.788 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: 0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -92.646753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.646753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.646753 (E_RNA) where: Base-Base interactions energy: -43.598 where: short stacking energy: -43.598 Base-Backbone interact. energy: -0.026 local terms energy: -49.023422 where: bonds (distance) C4'-P energy: -7.366 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -7.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -77.281991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.281991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.281991 (E_RNA) where: Base-Base interactions energy: -29.683 where: short stacking energy: -22.683 Base-Backbone interact. energy: 0.433 local terms energy: -48.031801 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -9.710 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -74.368243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.368243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.368243 (E_RNA) where: Base-Base interactions energy: -34.312 where: short stacking energy: -29.228 Base-Backbone interact. energy: 4.459 local terms energy: -44.515345 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -10.138 flat angles C4'-P-C4' energy: -10.863 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -170.867640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.867640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.867640 (E_RNA) where: Base-Base interactions energy: -99.274 where: short stacking energy: -68.049 Base-Backbone interact. energy: -0.001 local terms energy: -71.593007 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -12.447 tors. eta vs tors. theta energy: -18.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -158.335596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.335596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.335596 (E_RNA) where: Base-Base interactions energy: -94.099 where: short stacking energy: -55.749 Base-Backbone interact. energy: -0.178 local terms energy: -64.058762 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -9.979 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -15.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -154.013079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.013079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.013079 (E_RNA) where: Base-Base interactions energy: -94.263 where: short stacking energy: -59.355 Base-Backbone interact. energy: 1.232 local terms energy: -60.982409 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -6.566 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: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -122.316830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.316830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.316830 (E_RNA) where: Base-Base interactions energy: -71.990 where: short stacking energy: -43.286 Base-Backbone interact. energy: -0.172 local terms energy: -50.154866 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -10.176 flat angles P-C4'-P energy: -8.407 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: 5, replica: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -139.975962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.975962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.975962 (E_RNA) where: Base-Base interactions energy: -85.650 where: short stacking energy: -53.620 Base-Backbone interact. energy: -0.096 local terms energy: -54.230471 where: bonds (distance) C4'-P energy: -12.997 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -9.777 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: 4 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -100.970247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.970247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.970247 (E_RNA) where: Base-Base interactions energy: -48.701 where: short stacking energy: -45.226 Base-Backbone interact. energy: -0.802 local terms energy: -51.467497 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -9.153 tors. eta vs tors. theta energy: -9.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -88.110698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.110698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.110698 (E_RNA) where: Base-Base interactions energy: -36.070 where: short stacking energy: -36.070 Base-Backbone interact. energy: -0.394 local terms energy: -51.646429 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -5.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -84.841024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.841024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.841024 (E_RNA) where: Base-Base interactions energy: -36.854 where: short stacking energy: -33.419 Base-Backbone interact. energy: -0.089 local terms energy: -47.898053 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -6.637 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: 9, replica: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -73.446005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.446005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.446005 (E_RNA) where: Base-Base interactions energy: -36.256 where: short stacking energy: -36.256 Base-Backbone interact. energy: -0.067 local terms energy: -37.122620 where: bonds (distance) C4'-P energy: -4.568 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -11.338 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -87.751652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.751652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.751652 (E_RNA) where: Base-Base interactions energy: -39.750 where: short stacking energy: -39.750 Base-Backbone interact. energy: -0.007 local terms energy: -47.995281 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -10.409 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -9.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -151.025790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.025790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.025790 (E_RNA) where: Base-Base interactions energy: -98.701 where: short stacking energy: -50.291 Base-Backbone interact. energy: 0.455 local terms energy: -52.779870 where: bonds (distance) C4'-P energy: -8.736 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -11.031 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: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -150.988481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.988481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.988481 (E_RNA) where: Base-Base interactions energy: -87.012 where: short stacking energy: -58.207 Base-Backbone interact. energy: -0.722 local terms energy: -63.254712 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.220 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -12.055 tors. eta vs tors. theta energy: -11.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -154.453126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.453126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.453126 (E_RNA) where: Base-Base interactions energy: -92.548 where: short stacking energy: -61.063 Base-Backbone interact. energy: -0.002 local terms energy: -61.902752 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -14.902 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: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -134.088687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.088687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.088687 (E_RNA) where: Base-Base interactions energy: -85.507 where: short stacking energy: -60.066 Base-Backbone interact. energy: -0.056 local terms energy: -48.526626 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -11.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -123.159393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.159393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.159393 (E_RNA) where: Base-Base interactions energy: -67.727 where: short stacking energy: -38.479 Base-Backbone interact. energy: -0.089 local terms energy: -55.343551 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -5.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -91.466783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.466783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.466783 (E_RNA) where: Base-Base interactions energy: -42.690 where: short stacking energy: -37.173 Base-Backbone interact. energy: -0.464 local terms energy: -48.312610 where: bonds (distance) C4'-P energy: -14.707 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -8.539 flat angles P-C4'-P energy: -8.339 tors. eta vs tors. theta energy: -5.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -86.931765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.931765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.931765 (E_RNA) where: Base-Base interactions energy: -41.392 where: short stacking energy: -36.649 Base-Backbone interact. energy: -0.331 local terms energy: -45.208758 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -12.925 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -7.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -85.025467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.025467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.025467 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -30.131 Base-Backbone interact. energy: -0.055 local terms energy: -50.417091 where: bonds (distance) C4'-P energy: -16.023 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -90.338969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.338969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.338969 (E_RNA) where: Base-Base interactions energy: -56.096 where: short stacking energy: -24.823 Base-Backbone interact. energy: -0.233 local terms energy: -34.010329 where: bonds (distance) C4'-P energy: -8.347 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -70.951362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.951362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.951362 (E_RNA) where: Base-Base interactions energy: -36.911 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.051 local terms energy: -33.989844 where: bonds (distance) C4'-P energy: -8.021 bonds (distance) P-C4' energy: -8.495 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -155.101007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.101007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.101007 (E_RNA) where: Base-Base interactions energy: -88.714 where: short stacking energy: -61.825 Base-Backbone interact. energy: 0.753 local terms energy: -67.140182 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -12.649 tors. eta vs tors. theta energy: -12.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -152.197188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.197188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.197188 (E_RNA) where: Base-Base interactions energy: -95.893 where: short stacking energy: -63.393 Base-Backbone interact. energy: -0.007 local terms energy: -56.297775 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -16.966 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: 10 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -137.395446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.395446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.395446 (E_RNA) where: Base-Base interactions energy: -81.170 where: short stacking energy: -51.553 Base-Backbone interact. energy: -0.002 local terms energy: -56.223067 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -11.565 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -9.391 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: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -138.000677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.000677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.000677 (E_RNA) where: Base-Base interactions energy: -84.465 where: short stacking energy: -47.178 Base-Backbone interact. energy: -0.001 local terms energy: -53.533823 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -6.921 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: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -126.978146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.978146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.978146 (E_RNA) where: Base-Base interactions energy: -78.727 where: short stacking energy: -46.822 Base-Backbone interact. energy: -0.072 local terms energy: -48.179320 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -11.293 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -108.662231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.662231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.662231 (E_RNA) where: Base-Base interactions energy: -68.781 where: short stacking energy: -35.494 Base-Backbone interact. energy: -0.104 local terms energy: -39.776978 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -11.109 flat angles C4'-P-C4' energy: -10.427 flat angles P-C4'-P energy: 1.266 tors. eta vs tors. theta energy: -8.659 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: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -94.332525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.332525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.332525 (E_RNA) where: Base-Base interactions energy: -37.658 where: short stacking energy: -37.658 Base-Backbone interact. energy: -0.059 local terms energy: -56.615583 where: bonds (distance) C4'-P energy: -12.037 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -12.202 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -79.359037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.359037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.359037 (E_RNA) where: Base-Base interactions energy: -37.205 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.261 local terms energy: -41.893054 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: 1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -70.733092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.733092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.733092 (E_RNA) where: Base-Base interactions energy: -32.191 where: short stacking energy: -28.163 Base-Backbone interact. energy: 0.350 local terms energy: -38.892564 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -9.242 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -79.247897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.247897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.247897 (E_RNA) where: Base-Base interactions energy: -30.609 where: short stacking energy: -30.609 Base-Backbone interact. energy: -0.005 local terms energy: -48.634221 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -10.057 flat angles P-C4'-P energy: -7.177 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -164.809781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.809781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.809781 (E_RNA) where: Base-Base interactions energy: -101.296 where: short stacking energy: -66.687 Base-Backbone interact. energy: -0.005 local terms energy: -63.509169 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -10.792 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: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -163.283821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.283821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.283821 (E_RNA) where: Base-Base interactions energy: -98.276 where: short stacking energy: -62.395 Base-Backbone interact. energy: -0.035 local terms energy: -64.973154 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -11.488 tors. eta vs tors. theta energy: -11.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -152.456555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.456555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.456555 (E_RNA) where: Base-Base interactions energy: -91.779 where: short stacking energy: -61.212 Base-Backbone interact. energy: -0.002 local terms energy: -60.675380 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -7.440 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: 4, replica: 10 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -141.626067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.626067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.626067 (E_RNA) where: Base-Base interactions energy: -80.471 where: short stacking energy: -48.042 Base-Backbone interact. energy: -0.028 local terms energy: -61.127131 where: bonds (distance) C4'-P energy: -12.248 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -11.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -124.831145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.831145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.831145 (E_RNA) where: Base-Base interactions energy: -75.902 where: short stacking energy: -45.667 Base-Backbone interact. energy: -0.055 local terms energy: -48.873784 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -10.189 tors. eta vs tors. theta energy: -6.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -131.133375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.133375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.133375 (E_RNA) where: Base-Base interactions energy: -79.473 where: short stacking energy: -49.286 Base-Backbone interact. energy: -0.397 local terms energy: -51.263630 where: bonds (distance) C4'-P energy: -10.173 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -13.920 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: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -96.384102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.384102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.384102 (E_RNA) where: Base-Base interactions energy: -50.945 where: short stacking energy: -28.635 Base-Backbone interact. energy: -0.121 local terms energy: -45.318380 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -10.192 flat angles C4'-P-C4' energy: -9.805 flat angles P-C4'-P energy: -12.383 tors. eta vs tors. theta energy: -0.397 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: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -81.005114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.005114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.005114 (E_RNA) where: Base-Base interactions energy: -37.170 where: short stacking energy: -37.170 Base-Backbone interact. energy: -0.144 local terms energy: -43.691377 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -75.168905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.168905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.168905 (E_RNA) where: Base-Base interactions energy: -23.395 where: short stacking energy: -23.395 Base-Backbone interact. energy: -0.168 local terms energy: -51.606087 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -75.150655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.150655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.150655 (E_RNA) where: Base-Base interactions energy: -29.005 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.214 local terms energy: -45.931875 where: bonds (distance) C4'-P energy: -6.708 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -10.546 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -165.122539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.122539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.122539 (E_RNA) where: Base-Base interactions energy: -101.622 where: short stacking energy: -60.641 Base-Backbone interact. energy: 0.089 local terms energy: -63.589727 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -12.024 flat angles P-C4'-P energy: -8.023 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: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -157.551767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.551767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.551767 (E_RNA) where: Base-Base interactions energy: -99.645 where: short stacking energy: -51.187 Base-Backbone interact. energy: -0.253 local terms energy: -57.654254 where: bonds (distance) C4'-P energy: -12.997 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -11.335 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -10.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -153.622259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.622259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.622259 (E_RNA) where: Base-Base interactions energy: -89.371 where: short stacking energy: -51.248 Base-Backbone interact. energy: -0.002 local terms energy: -64.249661 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -12.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -146.893505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.893505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.893505 (E_RNA) where: Base-Base interactions energy: -87.662 where: short stacking energy: -52.567 Base-Backbone interact. energy: 1.981 local terms energy: -61.211932 where: bonds (distance) C4'-P energy: -10.853 bonds (distance) P-C4' energy: -14.010 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -11.327 tors. eta vs tors. theta energy: -12.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -131.813170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.813170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.813170 (E_RNA) where: Base-Base interactions energy: -77.635 where: short stacking energy: -50.915 Base-Backbone interact. energy: -0.012 local terms energy: -54.166483 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -131.069044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.069044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.069044 (E_RNA) where: Base-Base interactions energy: -80.470 where: short stacking energy: -45.977 Base-Backbone interact. energy: -0.278 local terms energy: -50.320842 where: bonds (distance) C4'-P energy: -7.437 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -10.548 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -7.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -116.064769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.064769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.064769 (E_RNA) where: Base-Base interactions energy: -71.147 where: short stacking energy: -42.159 Base-Backbone interact. energy: -0.043 local terms energy: -44.875308 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -12.342 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -95.307434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.307434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.307434 (E_RNA) where: Base-Base interactions energy: -45.284 where: short stacking energy: -44.328 Base-Backbone interact. energy: -0.158 local terms energy: -49.865152 where: bonds (distance) C4'-P energy: -8.364 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -8.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -70.176175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.176175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.176175 (E_RNA) where: Base-Base interactions energy: -29.934 where: short stacking energy: -23.038 Base-Backbone interact. energy: -0.126 local terms energy: -40.115584 where: bonds (distance) C4'-P energy: -13.349 bonds (distance) P-C4' energy: -10.202 flat angles C4'-P-C4' energy: -11.509 flat angles P-C4'-P energy: -7.617 tors. eta vs tors. theta energy: 2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -74.265701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.265701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.265701 (E_RNA) where: Base-Base interactions energy: -26.756 where: short stacking energy: -26.756 Base-Backbone interact. energy: -0.034 local terms energy: -47.476040 where: bonds (distance) C4'-P energy: -9.634 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -5.228 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: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -176.814743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.814743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.814743 (E_RNA) where: Base-Base interactions energy: -110.550 where: short stacking energy: -63.606 Base-Backbone interact. energy: -0.000 local terms energy: -66.264010 where: bonds (distance) C4'-P energy: -11.333 bonds (distance) P-C4' energy: -13.689 flat angles C4'-P-C4' energy: -14.776 flat angles P-C4'-P energy: -9.355 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: 2, replica: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -159.005774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.005774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.005774 (E_RNA) where: Base-Base interactions energy: -99.567 where: short stacking energy: -61.705 Base-Backbone interact. energy: -0.013 local terms energy: -59.425821 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -14.261 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -16.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -152.748304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.748304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.748304 (E_RNA) where: Base-Base interactions energy: -91.785 where: short stacking energy: -56.276 Base-Backbone interact. energy: -0.251 local terms energy: -60.712671 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -10.478 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -15.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -136.283784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.283784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.283784 (E_RNA) where: Base-Base interactions energy: -79.471 where: short stacking energy: -47.628 Base-Backbone interact. energy: -0.197 local terms energy: -56.615432 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -9.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -127.580079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.580079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.580079 (E_RNA) where: Base-Base interactions energy: -82.493 where: short stacking energy: -50.992 Base-Backbone interact. energy: 0.415 local terms energy: -45.501878 where: bonds (distance) C4'-P energy: -9.329 bonds (distance) P-C4' energy: -11.689 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -120.784717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.784717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.784717 (E_RNA) where: Base-Base interactions energy: -74.486 where: short stacking energy: -45.322 Base-Backbone interact. energy: -0.006 local terms energy: -46.292064 where: bonds (distance) C4'-P energy: -9.611 bonds (distance) P-C4' energy: -13.357 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -116.984518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.984518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.984518 (E_RNA) where: Base-Base interactions energy: -66.390 where: short stacking energy: -37.004 Base-Backbone interact. energy: 0.735 local terms energy: -51.330358 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -92.341580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.341580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.341580 (E_RNA) where: Base-Base interactions energy: -38.240 where: short stacking energy: -39.530 Base-Backbone interact. energy: -0.154 local terms energy: -53.947785 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -78.496316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.496316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.496316 (E_RNA) where: Base-Base interactions energy: -31.604 where: short stacking energy: -31.604 Base-Backbone interact. energy: -0.041 local terms energy: -46.851211 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -76.315745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.315745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.315745 (E_RNA) where: Base-Base interactions energy: -36.421 where: short stacking energy: -33.977 Base-Backbone interact. energy: -0.083 local terms energy: -39.811675 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -168.071967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.071967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.071967 (E_RNA) where: Base-Base interactions energy: -104.515 where: short stacking energy: -63.611 Base-Backbone interact. energy: 1.934 local terms energy: -65.490806 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -9.569 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: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -167.300957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.300957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.300957 (E_RNA) where: Base-Base interactions energy: -107.123 where: short stacking energy: -71.526 Base-Backbone interact. energy: -0.004 local terms energy: -60.174485 where: bonds (distance) C4'-P energy: -8.372 bonds (distance) P-C4' energy: -10.277 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -12.159 tors. eta vs tors. theta energy: -17.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -143.796341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.796341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.796341 (E_RNA) where: Base-Base interactions energy: -91.049 where: short stacking energy: -56.720 Base-Backbone interact. energy: 0.201 local terms energy: -52.947865 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -11.720 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: 3 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -142.558187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.558187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.558187 (E_RNA) where: Base-Base interactions energy: -83.364 where: short stacking energy: -52.486 Base-Backbone interact. energy: -0.432 local terms energy: -58.762238 where: bonds (distance) C4'-P energy: -14.330 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -133.801878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.801878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.801878 (E_RNA) where: Base-Base interactions energy: -80.981 where: short stacking energy: -51.647 Base-Backbone interact. energy: 0.349 local terms energy: -53.169966 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -11.492 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: 425 Temperature: 1.150000 Total energy: -117.835924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.835924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.835924 (E_RNA) where: Base-Base interactions energy: -63.880 where: short stacking energy: -38.152 Base-Backbone interact. energy: -0.783 local terms energy: -53.172775 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -140.632317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.632317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.632317 (E_RNA) where: Base-Base interactions energy: -84.913 where: short stacking energy: -56.018 Base-Backbone interact. energy: -0.013 local terms energy: -55.706418 where: bonds (distance) C4'-P energy: -11.092 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -10.974 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: 425 Temperature: 1.250000 Total energy: -75.601391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.601391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.601391 (E_RNA) where: Base-Base interactions energy: -23.624 where: short stacking energy: -23.624 Base-Backbone interact. energy: -0.377 local terms energy: -51.600646 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -11.080 flat angles P-C4'-P energy: -8.176 tors. eta vs tors. theta energy: -6.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -80.077327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.077327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.077327 (E_RNA) where: Base-Base interactions energy: -38.391 where: short stacking energy: -31.216 Base-Backbone interact. energy: -0.128 local terms energy: -41.559189 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -12.156 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -70.669591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.669591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.669591 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.036 local terms energy: -46.667505 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -167.449804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.449804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.449804 (E_RNA) where: Base-Base interactions energy: -101.111 where: short stacking energy: -64.523 Base-Backbone interact. energy: -0.122 local terms energy: -66.216605 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -15.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -156.607609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.607609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.607609 (E_RNA) where: Base-Base interactions energy: -98.662 where: short stacking energy: -64.186 Base-Backbone interact. energy: -0.003 local terms energy: -57.942714 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -9.818 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -16.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -160.510235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.510235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.510235 (E_RNA) where: Base-Base interactions energy: -98.115 where: short stacking energy: -59.535 Base-Backbone interact. energy: -0.013 local terms energy: -62.381366 where: bonds (distance) C4'-P energy: -10.881 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -16.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -153.071394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.071394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.071394 (E_RNA) where: Base-Base interactions energy: -92.841 where: short stacking energy: -59.244 Base-Backbone interact. energy: -0.588 local terms energy: -59.642756 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -9.069 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -133.021050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.021050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.021050 (E_RNA) where: Base-Base interactions energy: -73.138 where: short stacking energy: -50.122 Base-Backbone interact. energy: -0.003 local terms energy: -59.880343 where: bonds (distance) C4'-P energy: -11.548 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -11.890 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: 426 Temperature: 1.150000 Total energy: -123.541080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.541080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.541080 (E_RNA) where: Base-Base interactions energy: -81.693 where: short stacking energy: -54.346 Base-Backbone interact. energy: -0.008 local terms energy: -41.839737 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -7.759 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: 7, replica: 9 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -97.292936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.292936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.292936 (E_RNA) where: Base-Base interactions energy: -44.090 where: short stacking energy: -37.796 Base-Backbone interact. energy: 0.223 local terms energy: -53.426367 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -5.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -121.607061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.607061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.607061 (E_RNA) where: Base-Base interactions energy: -70.310 where: short stacking energy: -41.731 Base-Backbone interact. energy: -0.012 local terms energy: -51.285425 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -8.316 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -10.088 tors. eta vs tors. theta energy: -9.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -77.449167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.449167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.449167 (E_RNA) where: Base-Base interactions energy: -32.258 where: short stacking energy: -23.355 Base-Backbone interact. energy: -0.845 local terms energy: -44.346010 where: bonds (distance) C4'-P energy: -11.622 bonds (distance) P-C4' energy: -9.168 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -63.719225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.719225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.719225 (E_RNA) where: Base-Base interactions energy: -29.163 where: short stacking energy: -24.126 Base-Backbone interact. energy: 0.909 local terms energy: -35.465312 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -10.711 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: 0.581 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: 8 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -166.891180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.891180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.891180 (E_RNA) where: Base-Base interactions energy: -102.735 where: short stacking energy: -66.901 Base-Backbone interact. energy: -0.001 local terms energy: -64.155609 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -9.507 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: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -167.456797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.456797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.456797 (E_RNA) where: Base-Base interactions energy: -97.787 where: short stacking energy: -65.649 Base-Backbone interact. energy: -0.007 local terms energy: -69.662500 where: bonds (distance) C4'-P energy: -15.187 bonds (distance) P-C4' energy: -14.391 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -11.357 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: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -155.883821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.883821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.883821 (E_RNA) where: Base-Base interactions energy: -91.086 where: short stacking energy: -57.829 Base-Backbone interact. energy: -0.016 local terms energy: -64.781782 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -12.220 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -16.205 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: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -141.270501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.270501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.270501 (E_RNA) where: Base-Base interactions energy: -81.425 where: short stacking energy: -50.470 Base-Backbone interact. energy: -0.076 local terms energy: -59.768695 where: bonds (distance) C4'-P energy: -12.889 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -10.531 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: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -131.421851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.421851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.421851 (E_RNA) where: Base-Base interactions energy: -81.165 where: short stacking energy: -53.576 Base-Backbone interact. energy: -0.003 local terms energy: -50.253416 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -10.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -93.833349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.833349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.833349 (E_RNA) where: Base-Base interactions energy: -48.041 where: short stacking energy: -38.321 Base-Backbone interact. energy: -0.114 local terms energy: -45.677775 where: bonds (distance) C4'-P energy: -8.555 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -97.701521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.701521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.701521 (E_RNA) where: Base-Base interactions energy: -57.194 where: short stacking energy: -45.863 Base-Backbone interact. energy: -0.031 local terms energy: -40.476141 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -9.278 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -9.978 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -115.216643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.216643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.216643 (E_RNA) where: Base-Base interactions energy: -67.174 where: short stacking energy: -38.554 Base-Backbone interact. energy: -0.289 local terms energy: -47.754288 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -8.901 flat angles P-C4'-P energy: -11.037 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -83.153815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.153815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.153815 (E_RNA) where: Base-Base interactions energy: -26.530 where: short stacking energy: -26.530 Base-Backbone interact. energy: -0.185 local terms energy: -56.439464 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -11.176 tors. eta vs tors. theta energy: -7.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -80.381836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.381836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.381836 (E_RNA) where: Base-Base interactions energy: -32.523 where: short stacking energy: -32.523 Base-Backbone interact. energy: -0.326 local terms energy: -47.533680 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -9.072 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -3.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -164.434841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.434841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.434841 (E_RNA) where: Base-Base interactions energy: -98.361 where: short stacking energy: -68.040 Base-Backbone interact. energy: -0.065 local terms energy: -66.009214 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -7.720 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: 2, replica: 8 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -158.016672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.016672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.016672 (E_RNA) where: Base-Base interactions energy: -92.782 where: short stacking energy: -55.941 Base-Backbone interact. energy: -0.161 local terms energy: -65.074066 where: bonds (distance) C4'-P energy: -14.226 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -15.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -147.883776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.883776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.883776 (E_RNA) where: Base-Base interactions energy: -87.660 where: short stacking energy: -56.941 Base-Backbone interact. energy: -0.021 local terms energy: -60.202358 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -14.003 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: 6 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -153.202708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.202708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.202708 (E_RNA) where: Base-Base interactions energy: -93.919 where: short stacking energy: -48.114 Base-Backbone interact. energy: -0.172 local terms energy: -59.111612 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -10.426 flat angles C4'-P-C4' energy: -10.977 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -15.029 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: 5, replica: 9 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -97.114467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.114467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.114467 (E_RNA) where: Base-Base interactions energy: -41.788 where: short stacking energy: -41.788 Base-Backbone interact. energy: 0.560 local terms energy: -55.886732 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -12.249 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -7.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -134.722927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.722927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.722927 (E_RNA) where: Base-Base interactions energy: -80.485 where: short stacking energy: -52.091 Base-Backbone interact. energy: -0.032 local terms energy: -54.205206 where: bonds (distance) C4'-P energy: -9.476 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -6.288 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: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -120.856350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.856350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.856350 (E_RNA) where: Base-Base interactions energy: -74.742 where: short stacking energy: -42.992 Base-Backbone interact. energy: 0.557 local terms energy: -46.671547 where: bonds (distance) C4'-P energy: -6.982 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -10.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -94.167311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.167311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.167311 (E_RNA) where: Base-Base interactions energy: -47.970 where: short stacking energy: -22.303 Base-Backbone interact. energy: -0.234 local terms energy: -45.963388 where: bonds (distance) C4'-P energy: -11.528 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -0.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -79.395118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.395118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.395118 (E_RNA) where: Base-Base interactions energy: -33.351 where: short stacking energy: -27.013 Base-Backbone interact. energy: -0.357 local terms energy: -45.686847 where: bonds (distance) C4'-P energy: -9.110 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -72.376265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.376265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.376265 (E_RNA) where: Base-Base interactions energy: -21.371 where: short stacking energy: -17.702 Base-Backbone interact. energy: -0.713 local terms energy: -50.291471 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -9.917 tors. eta vs tors. theta energy: -1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -168.900775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.900775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.900775 (E_RNA) where: Base-Base interactions energy: -105.856 where: short stacking energy: -72.233 Base-Backbone interact. energy: -0.630 local terms energy: -62.415098 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -16.192 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: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -148.866242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.866242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.866242 (E_RNA) where: Base-Base interactions energy: -91.014 where: short stacking energy: -59.998 Base-Backbone interact. energy: 1.123 local terms energy: -58.975449 where: bonds (distance) C4'-P energy: -10.862 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -7.498 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: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -148.225095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.225095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.225095 (E_RNA) where: Base-Base interactions energy: -85.011 where: short stacking energy: -53.495 Base-Backbone interact. energy: -0.031 local terms energy: -63.182727 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -10.564 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: 4, replica: 9 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -116.873081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.873081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.873081 (E_RNA) where: Base-Base interactions energy: -58.935 where: short stacking energy: -50.926 Base-Backbone interact. energy: -0.156 local terms energy: -57.781396 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -9.676 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -15.890 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: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -140.568711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.568711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.568711 (E_RNA) where: Base-Base interactions energy: -86.291 where: short stacking energy: -53.334 Base-Backbone interact. energy: -0.101 local terms energy: -54.176343 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -137.842043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.842043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.842043 (E_RNA) where: Base-Base interactions energy: -79.659 where: short stacking energy: -53.670 Base-Backbone interact. energy: -0.600 local terms energy: -57.583100 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -9.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -129.857563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.857563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.857563 (E_RNA) where: Base-Base interactions energy: -81.406 where: short stacking energy: -42.221 Base-Backbone interact. energy: -0.101 local terms energy: -48.350908 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -11.393 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -88.258443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.258443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.258443 (E_RNA) where: Base-Base interactions energy: -42.433 where: short stacking energy: -41.693 Base-Backbone interact. energy: -0.478 local terms energy: -45.347494 where: bonds (distance) C4'-P energy: -8.527 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -5.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -82.150595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.150595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.150595 (E_RNA) where: Base-Base interactions energy: -34.833 where: short stacking energy: -34.833 Base-Backbone interact. energy: -0.072 local terms energy: -47.245952 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -9.756 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -82.189262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.189262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.189262 (E_RNA) where: Base-Base interactions energy: -39.761 where: short stacking energy: -28.519 Base-Backbone interact. energy: -0.002 local terms energy: -42.426941 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -8.746 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -153.655847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.655847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.655847 (E_RNA) where: Base-Base interactions energy: -96.978 where: short stacking energy: -56.755 Base-Backbone interact. energy: -0.464 local terms energy: -56.214200 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -11.546 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -12.119 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: 7 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -169.508552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.508552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.508552 (E_RNA) where: Base-Base interactions energy: -105.049 where: short stacking energy: -65.054 Base-Backbone interact. energy: -0.010 local terms energy: -64.450191 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -15.096 flat angles P-C4'-P energy: -7.214 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -139.238926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.238926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.238926 (E_RNA) where: Base-Base interactions energy: -84.567 where: short stacking energy: -65.094 Base-Backbone interact. energy: -0.784 local terms energy: -53.888092 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -7.511 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: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -128.221269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.221269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.221269 (E_RNA) where: Base-Base interactions energy: -72.528 where: short stacking energy: -43.050 Base-Backbone interact. energy: -0.968 local terms energy: -54.725947 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -8.265 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: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -128.343626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.343626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.343626 (E_RNA) where: Base-Base interactions energy: -76.468 where: short stacking energy: -47.213 Base-Backbone interact. energy: -0.020 local terms energy: -51.855680 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -8.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -132.051142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.051142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.051142 (E_RNA) where: Base-Base interactions energy: -72.735 where: short stacking energy: -46.001 Base-Backbone interact. energy: -0.361 local terms energy: -58.955007 where: bonds (distance) C4'-P energy: -10.678 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -11.881 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: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -91.415602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.415602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.415602 (E_RNA) where: Base-Base interactions energy: -45.609 where: short stacking energy: -35.723 Base-Backbone interact. energy: -0.195 local terms energy: -45.611282 where: bonds (distance) C4'-P energy: -9.718 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -10.036 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -81.345355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.345355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.345355 (E_RNA) where: Base-Base interactions energy: -36.188 where: short stacking energy: -31.585 Base-Backbone interact. energy: -0.102 local terms energy: -45.055454 where: bonds (distance) C4'-P energy: -10.517 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -12.672 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -81.188762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.188762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.188762 (E_RNA) where: Base-Base interactions energy: -32.172 where: short stacking energy: -30.914 Base-Backbone interact. energy: -0.090 local terms energy: -48.926603 where: bonds (distance) C4'-P energy: -7.296 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -11.317 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -74.334139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.334139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.334139 (E_RNA) where: Base-Base interactions energy: -32.580 where: short stacking energy: -30.044 Base-Backbone interact. energy: -0.311 local terms energy: -41.443435 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -13.914 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -164.575916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.575916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.575916 (E_RNA) where: Base-Base interactions energy: -102.831 where: short stacking energy: -56.741 Base-Backbone interact. energy: -0.011 local terms energy: -61.733726 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -8.367 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: 2, replica: 7 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -151.359774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.359774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.359774 (E_RNA) where: Base-Base interactions energy: -97.504 where: short stacking energy: -47.084 Base-Backbone interact. energy: -1.541 local terms energy: -52.314265 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -122.159965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.159965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.159965 (E_RNA) where: Base-Base interactions energy: -65.279 where: short stacking energy: -44.767 Base-Backbone interact. energy: -0.710 local terms energy: -56.170338 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -14.110 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -7.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -140.522737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.522737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.522737 (E_RNA) where: Base-Base interactions energy: -85.915 where: short stacking energy: -54.859 Base-Backbone interact. energy: 0.263 local terms energy: -54.870714 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -126.412987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.412987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.412987 (E_RNA) where: Base-Base interactions energy: -69.648 where: short stacking energy: -39.222 Base-Backbone interact. energy: -0.110 local terms energy: -56.655199 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.686 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -6.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -138.232979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.232979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.232979 (E_RNA) where: Base-Base interactions energy: -83.954 where: short stacking energy: -47.166 Base-Backbone interact. energy: -0.088 local terms energy: -54.191113 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.869 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -10.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -88.046061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.046061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.046061 (E_RNA) where: Base-Base interactions energy: -47.068 where: short stacking energy: -33.163 Base-Backbone interact. energy: -0.398 local terms energy: -40.579709 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -9.543 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: 1.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -79.865899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.865899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.865899 (E_RNA) where: Base-Base interactions energy: -34.405 where: short stacking energy: -34.405 Base-Backbone interact. energy: -0.099 local terms energy: -45.362170 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -11.034 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -92.133011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.133011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.133011 (E_RNA) where: Base-Base interactions energy: -44.607 where: short stacking energy: -39.239 Base-Backbone interact. energy: -0.088 local terms energy: -47.438537 where: bonds (distance) C4'-P energy: -7.942 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -9.036 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: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -80.350593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.350593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.350593 (E_RNA) where: Base-Base interactions energy: -34.017 where: short stacking energy: -30.155 Base-Backbone interact. energy: -0.148 local terms energy: -46.185678 where: bonds (distance) C4'-P energy: -7.706 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -5.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -155.421176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.421176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.421176 (E_RNA) where: Base-Base interactions energy: -96.144 where: short stacking energy: -58.159 Base-Backbone interact. energy: -0.208 local terms energy: -59.069137 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -11.918 flat angles C4'-P-C4' energy: -11.072 flat angles P-C4'-P energy: -11.868 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: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -163.227316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.227316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.227316 (E_RNA) where: Base-Base interactions energy: -104.354 where: short stacking energy: -69.414 Base-Backbone interact. energy: -0.011 local terms energy: -58.862871 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -9.633 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: 3, replica: 4 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -146.097876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.097876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.097876 (E_RNA) where: Base-Base interactions energy: -91.324 where: short stacking energy: -62.493 Base-Backbone interact. energy: -0.174 local terms energy: -54.599351 where: bonds (distance) C4'-P energy: -13.317 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -15.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -128.635003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.635003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.635003 (E_RNA) where: Base-Base interactions energy: -67.111 where: short stacking energy: -48.253 Base-Backbone interact. energy: -0.025 local terms energy: -61.499025 where: bonds (distance) C4'-P energy: -15.004 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -6.716 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -123.580280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.580280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.580280 (E_RNA) where: Base-Base interactions energy: -71.610 where: short stacking energy: -44.437 Base-Backbone interact. energy: -0.026 local terms energy: -51.944761 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -16.496 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -132.680286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.680286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.680286 (E_RNA) where: Base-Base interactions energy: -77.625 where: short stacking energy: -52.011 Base-Backbone interact. energy: -1.262 local terms energy: -53.793004 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -10.200 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -7.682 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: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -84.272563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.272563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.272563 (E_RNA) where: Base-Base interactions energy: -41.352 where: short stacking energy: -39.083 Base-Backbone interact. energy: 0.087 local terms energy: -43.007393 where: bonds (distance) C4'-P energy: -6.887 bonds (distance) P-C4' energy: -10.393 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -83.982645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.982645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.982645 (E_RNA) where: Base-Base interactions energy: -39.098 where: short stacking energy: -36.912 Base-Backbone interact. energy: -0.405 local terms energy: -44.478902 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -13.493 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -7.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -107.862060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.862060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.862060 (E_RNA) where: Base-Base interactions energy: -61.137 where: short stacking energy: -36.821 Base-Backbone interact. energy: -0.698 local terms energy: -46.026983 where: bonds (distance) C4'-P energy: -9.560 bonds (distance) P-C4' energy: -15.456 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -82.109392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.109392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.109392 (E_RNA) where: Base-Base interactions energy: -39.261 where: short stacking energy: -31.453 Base-Backbone interact. energy: 0.726 local terms energy: -43.573825 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -9.362 flat angles C4'-P-C4' energy: -7.370 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -8.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -157.467103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.467103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.467103 (E_RNA) where: Base-Base interactions energy: -94.169 where: short stacking energy: -59.570 Base-Backbone interact. energy: -1.008 local terms energy: -62.290048 where: bonds (distance) C4'-P energy: -14.389 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -12.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -145.187886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.187886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.187886 (E_RNA) where: Base-Base interactions energy: -82.513 where: short stacking energy: -50.396 Base-Backbone interact. energy: -0.111 local terms energy: -62.563504 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -8.941 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: 3, replica: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -156.478257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.478257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.478257 (E_RNA) where: Base-Base interactions energy: -93.203 where: short stacking energy: -57.587 Base-Backbone interact. energy: -0.024 local terms energy: -63.250877 where: bonds (distance) C4'-P energy: -15.374 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -145.515535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.515535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.515535 (E_RNA) where: Base-Base interactions energy: -79.016 where: short stacking energy: -50.955 Base-Backbone interact. energy: -0.001 local terms energy: -66.498014 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -12.841 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -13.622 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: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -124.018789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.018789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.018789 (E_RNA) where: Base-Base interactions energy: -68.384 where: short stacking energy: -49.889 Base-Backbone interact. energy: -0.107 local terms energy: -55.527635 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -6.636 tors. eta vs tors. theta energy: -10.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -136.306327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.306327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.306327 (E_RNA) where: Base-Base interactions energy: -82.495 where: short stacking energy: -49.009 Base-Backbone interact. energy: -0.079 local terms energy: -53.732632 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -6.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -84.785734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.785734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.785734 (E_RNA) where: Base-Base interactions energy: -34.910 where: short stacking energy: -30.768 Base-Backbone interact. energy: -0.021 local terms energy: -49.854771 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -84.471468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.471468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.471468 (E_RNA) where: Base-Base interactions energy: -42.246 where: short stacking energy: -29.666 Base-Backbone interact. energy: -0.208 local terms energy: -42.017325 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -10.641 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -1.965 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: 2 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -71.332788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.332788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.332788 (E_RNA) where: Base-Base interactions energy: -31.892 where: short stacking energy: -23.630 Base-Backbone interact. energy: -0.657 local terms energy: -38.784333 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -8.682 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -75.435485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.435485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.435485 (E_RNA) where: Base-Base interactions energy: -38.545 where: short stacking energy: -32.368 Base-Backbone interact. energy: -0.019 local terms energy: -36.870939 where: bonds (distance) C4'-P energy: -7.019 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -144.230874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.230874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.230874 (E_RNA) where: Base-Base interactions energy: -86.167 where: short stacking energy: -58.337 Base-Backbone interact. energy: -0.013 local terms energy: -58.051376 where: bonds (distance) C4'-P energy: -13.875 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -11.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -152.783442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.783442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.783442 (E_RNA) where: Base-Base interactions energy: -93.690 where: short stacking energy: -49.754 Base-Backbone interact. energy: -0.117 local terms energy: -58.975798 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -10.193 tors. eta vs tors. theta energy: -11.305 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: 434 Temperature: 1.000000 Total energy: -138.866078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.866078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.866078 (E_RNA) where: Base-Base interactions energy: -88.251 where: short stacking energy: -57.005 Base-Backbone interact. energy: -0.660 local terms energy: -49.954922 where: bonds (distance) C4'-P energy: -8.893 bonds (distance) P-C4' energy: -7.982 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -12.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -151.058543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.058543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.058543 (E_RNA) where: Base-Base interactions energy: -90.646 where: short stacking energy: -62.996 Base-Backbone interact. energy: -0.001 local terms energy: -60.411552 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -12.486 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -13.425 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: 434 Temperature: 1.100000 Total energy: -136.614801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.614801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.614801 (E_RNA) where: Base-Base interactions energy: -83.077 where: short stacking energy: -53.768 Base-Backbone interact. energy: -0.105 local terms energy: -53.433021 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -11.210 flat angles C4'-P-C4' energy: -12.702 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -10.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -105.710400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.710400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.710400 (E_RNA) where: Base-Base interactions energy: -50.250 where: short stacking energy: -50.250 Base-Backbone interact. energy: -0.016 local terms energy: -55.443728 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -11.030 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -88.684364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.684364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.684364 (E_RNA) where: Base-Base interactions energy: -46.178 where: short stacking energy: -41.478 Base-Backbone interact. energy: -0.010 local terms energy: -42.496183 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -7.347 flat angles C4'-P-C4' energy: -11.960 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -6.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -81.677890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.677890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.677890 (E_RNA) where: Base-Base interactions energy: -38.333 where: short stacking energy: -38.333 Base-Backbone interact. energy: -0.162 local terms energy: -43.183023 where: bonds (distance) C4'-P energy: -6.771 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -3.869 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: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -86.743385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.743385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.743385 (E_RNA) where: Base-Base interactions energy: -45.866 where: short stacking energy: -28.643 Base-Backbone interact. energy: 0.188 local terms energy: -41.064815 where: bonds (distance) C4'-P energy: -8.742 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -70.906508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.906508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.906508 (E_RNA) where: Base-Base interactions energy: -27.075 where: short stacking energy: -26.014 Base-Backbone interact. energy: -0.089 local terms energy: -43.742593 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: 0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -153.609525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.609525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.609525 (E_RNA) where: Base-Base interactions energy: -86.707 where: short stacking energy: -57.380 Base-Backbone interact. energy: -0.764 local terms energy: -66.138215 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -9.145 tors. eta vs tors. theta energy: -15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -158.779354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.779354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.779354 (E_RNA) where: Base-Base interactions energy: -95.137 where: short stacking energy: -54.769 Base-Backbone interact. energy: -0.187 local terms energy: -63.455166 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -12.700 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -7.116 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: 3, replica: 6 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -138.001858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.001858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.001858 (E_RNA) where: Base-Base interactions energy: -81.400 where: short stacking energy: -46.302 Base-Backbone interact. energy: 0.213 local terms energy: -56.815200 where: bonds (distance) C4'-P energy: -13.357 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -7.297 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: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -138.169507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.169507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.169507 (E_RNA) where: Base-Base interactions energy: -82.985 where: short stacking energy: -48.219 Base-Backbone interact. energy: -0.170 local terms energy: -55.014034 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -7.838 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: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -103.836596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.836596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.836596 (E_RNA) where: Base-Base interactions energy: -44.965 where: short stacking energy: -44.965 Base-Backbone interact. energy: -0.016 local terms energy: -58.855300 where: bonds (distance) C4'-P energy: -14.173 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -7.565 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: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -94.816858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.816858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.816858 (E_RNA) where: Base-Base interactions energy: -50.355 where: short stacking energy: -50.355 Base-Backbone interact. energy: -0.600 local terms energy: -43.862583 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -1.262 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -89.300754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.300754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.300754 (E_RNA) where: Base-Base interactions energy: -36.517 where: short stacking energy: -30.424 Base-Backbone interact. energy: 0.062 local terms energy: -52.845464 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -8.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -78.427418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.427418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.427418 (E_RNA) where: Base-Base interactions energy: -30.505 where: short stacking energy: -26.476 Base-Backbone interact. energy: -0.717 local terms energy: -47.204776 where: bonds (distance) C4'-P energy: -8.588 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -10.911 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -75.269606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.269606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.269606 (E_RNA) where: Base-Base interactions energy: -31.496 where: short stacking energy: -31.201 Base-Backbone interact. energy: -0.217 local terms energy: -43.556636 where: bonds (distance) C4'-P energy: -11.225 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -7.093 tors. eta vs tors. theta energy: -6.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -78.733918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.733918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.733918 (E_RNA) where: Base-Base interactions energy: -34.325 where: short stacking energy: -33.077 Base-Backbone interact. energy: -0.145 local terms energy: -44.263449 where: bonds (distance) C4'-P energy: -6.191 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -150.302662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.302662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.302662 (E_RNA) where: Base-Base interactions energy: -92.014 where: short stacking energy: -52.034 Base-Backbone interact. energy: -0.057 local terms energy: -58.232012 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -9.737 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -9.101 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: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -151.058870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.058870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.058870 (E_RNA) where: Base-Base interactions energy: -86.236 where: short stacking energy: -62.883 Base-Backbone interact. energy: -0.004 local terms energy: -64.818009 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -12.196 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: 3, replica: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -148.666362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.666362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.666362 (E_RNA) where: Base-Base interactions energy: -89.831 where: short stacking energy: -56.033 Base-Backbone interact. energy: 0.098 local terms energy: -58.933442 where: bonds (distance) C4'-P energy: -11.722 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -10.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -151.829200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.829200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.829200 (E_RNA) where: Base-Base interactions energy: -94.779 where: short stacking energy: -57.645 Base-Backbone interact. energy: -1.326 local terms energy: -55.723924 where: bonds (distance) C4'-P energy: -13.729 bonds (distance) P-C4' energy: -11.498 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -7.345 tors. eta vs tors. theta energy: -10.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -98.626285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.626285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.626285 (E_RNA) where: Base-Base interactions energy: -39.588 where: short stacking energy: -39.588 Base-Backbone interact. energy: -0.016 local terms energy: -59.022177 where: bonds (distance) C4'-P energy: -12.148 bonds (distance) P-C4' energy: -11.252 flat angles C4'-P-C4' energy: -13.863 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -99.056799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.056799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.056799 (E_RNA) where: Base-Base interactions energy: -44.900 where: short stacking energy: -44.900 Base-Backbone interact. energy: -0.003 local terms energy: -54.154372 where: bonds (distance) C4'-P energy: -11.487 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -7.504 tors. eta vs tors. theta energy: -10.023 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: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -93.047473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.047473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.047473 (E_RNA) where: Base-Base interactions energy: -36.150 where: short stacking energy: -36.150 Base-Backbone interact. energy: -0.243 local terms energy: -56.654892 where: bonds (distance) C4'-P energy: -13.005 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -7.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -87.133870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.133870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.133870 (E_RNA) where: Base-Base interactions energy: -44.072 where: short stacking energy: -42.269 Base-Backbone interact. energy: -0.022 local terms energy: -43.039747 where: bonds (distance) C4'-P energy: -5.824 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -10.569 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -7.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -72.168790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.168790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.168790 (E_RNA) where: Base-Base interactions energy: -33.141 where: short stacking energy: -22.417 Base-Backbone interact. energy: -0.159 local terms energy: -38.869344 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -13.618 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: 1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -75.006538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.006538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.006538 (E_RNA) where: Base-Base interactions energy: -24.165 where: short stacking energy: -18.604 Base-Backbone interact. energy: -0.653 local terms energy: -50.188344 where: bonds (distance) C4'-P energy: -13.324 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -3.591 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: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -151.343183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.343183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.343183 (E_RNA) where: Base-Base interactions energy: -93.024 where: short stacking energy: -58.309 Base-Backbone interact. energy: -0.072 local terms energy: -58.247429 where: bonds (distance) C4'-P energy: -13.101 bonds (distance) P-C4' energy: -11.245 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -8.531 tors. eta vs tors. theta energy: -14.202 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -148.142699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.142699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.142699 (E_RNA) where: Base-Base interactions energy: -91.041 where: short stacking energy: -52.871 Base-Backbone interact. energy: -0.021 local terms energy: -57.080703 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -9.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -154.525198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.525198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.525198 (E_RNA) where: Base-Base interactions energy: -96.881 where: short stacking energy: -51.080 Base-Backbone interact. energy: -0.818 local terms energy: -56.826707 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -11.594 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -10.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -129.133918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.133918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.133918 (E_RNA) where: Base-Base interactions energy: -77.735 where: short stacking energy: -52.158 Base-Backbone interact. energy: -0.040 local terms energy: -51.359294 where: bonds (distance) C4'-P energy: -8.812 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -7.800 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: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -106.183578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.183578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.183578 (E_RNA) where: Base-Base interactions energy: -46.083 where: short stacking energy: -46.083 Base-Backbone interact. energy: -0.011 local terms energy: -60.089387 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -9.313 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -12.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -93.077802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.077802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.077802 (E_RNA) where: Base-Base interactions energy: -38.294 where: short stacking energy: -37.533 Base-Backbone interact. energy: -0.100 local terms energy: -54.684373 where: bonds (distance) C4'-P energy: -8.285 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -9.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -84.164123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.164123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.164123 (E_RNA) where: Base-Base interactions energy: -31.679 where: short stacking energy: -30.631 Base-Backbone interact. energy: -0.122 local terms energy: -52.363075 where: bonds (distance) C4'-P energy: -12.827 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -7.712 tors. eta vs tors. theta energy: -3.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -79.922035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.922035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.922035 (E_RNA) where: Base-Base interactions energy: -38.545 where: short stacking energy: -33.112 Base-Backbone interact. energy: -0.055 local terms energy: -41.322107 where: bonds (distance) C4'-P energy: -9.880 bonds (distance) P-C4' energy: -9.940 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -6.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -73.500394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.500394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.500394 (E_RNA) where: Base-Base interactions energy: -30.968 where: short stacking energy: -30.968 Base-Backbone interact. energy: -0.013 local terms energy: -42.519276 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: 0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -78.114517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.114517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.114517 (E_RNA) where: Base-Base interactions energy: -37.784 where: short stacking energy: -33.303 Base-Backbone interact. energy: -0.025 local terms energy: -40.305571 where: bonds (distance) C4'-P energy: -10.450 bonds (distance) P-C4' energy: -9.967 flat angles C4'-P-C4' energy: -15.327 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: 3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -159.490467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.490467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.490467 (E_RNA) where: Base-Base interactions energy: -99.920 where: short stacking energy: -59.818 Base-Backbone interact. energy: -0.006 local terms energy: -59.564044 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -6.628 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: 2, replica: 4 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -154.040346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.040346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.040346 (E_RNA) where: Base-Base interactions energy: -91.881 where: short stacking energy: -59.174 Base-Backbone interact. energy: 0.638 local terms energy: -62.797660 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -9.347 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: 3, replica: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -149.114429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.114429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.114429 (E_RNA) where: Base-Base interactions energy: -89.369 where: short stacking energy: -51.665 Base-Backbone interact. energy: -0.098 local terms energy: -59.647041 where: bonds (distance) C4'-P energy: -15.907 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -9.730 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: 438 Temperature: 1.050000 Total energy: -136.072531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.072531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.072531 (E_RNA) where: Base-Base interactions energy: -80.805 where: short stacking energy: -55.787 Base-Backbone interact. energy: -0.033 local terms energy: -55.234592 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -10.927 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -9.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -94.401832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.401832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.401832 (E_RNA) where: Base-Base interactions energy: -43.854 where: short stacking energy: -42.241 Base-Backbone interact. energy: -0.507 local terms energy: -50.040821 where: bonds (distance) C4'-P energy: -11.680 bonds (distance) P-C4' energy: -8.511 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -13.318 tors. eta vs tors. theta energy: -10.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -92.689129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.689129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.689129 (E_RNA) where: Base-Base interactions energy: -40.302 where: short stacking energy: -40.302 Base-Backbone interact. energy: -0.007 local terms energy: -52.380155 where: bonds (distance) C4'-P energy: -12.495 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -9.822 flat angles P-C4'-P energy: -9.169 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -103.289916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.289916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.289916 (E_RNA) where: Base-Base interactions energy: -51.812 where: short stacking energy: -49.471 Base-Backbone interact. energy: -0.050 local terms energy: -51.427362 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -11.959 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -9.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -91.723490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.723490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.723490 (E_RNA) where: Base-Base interactions energy: -44.972 where: short stacking energy: -31.502 Base-Backbone interact. energy: -0.112 local terms energy: -46.639415 where: bonds (distance) C4'-P energy: -12.099 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -10.424 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -87.748571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.748571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.748571 (E_RNA) where: Base-Base interactions energy: -46.770 where: short stacking energy: -25.287 Base-Backbone interact. energy: -0.004 local terms energy: -40.974845 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -2.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -75.673194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.673194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.673194 (E_RNA) where: Base-Base interactions energy: -29.934 where: short stacking energy: -25.455 Base-Backbone interact. energy: 0.985 local terms energy: -46.724304 where: bonds (distance) C4'-P energy: -7.397 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -13.965 flat angles P-C4'-P energy: -9.938 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -162.547372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.547372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.547372 (E_RNA) where: Base-Base interactions energy: -101.681 where: short stacking energy: -63.050 Base-Backbone interact. energy: -0.005 local terms energy: -60.860894 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -7.176 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: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -149.450605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.450605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.450605 (E_RNA) where: Base-Base interactions energy: -88.295 where: short stacking energy: -55.664 Base-Backbone interact. energy: -0.010 local terms energy: -61.145482 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -10.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -154.546346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.546346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.546346 (E_RNA) where: Base-Base interactions energy: -93.070 where: short stacking energy: -62.597 Base-Backbone interact. energy: -0.003 local terms energy: -61.473275 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -17.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -133.707051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.707051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.707051 (E_RNA) where: Base-Base interactions energy: -76.985 where: short stacking energy: -43.935 Base-Backbone interact. energy: -0.039 local terms energy: -56.683423 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -101.808797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.808797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.808797 (E_RNA) where: Base-Base interactions energy: -48.662 where: short stacking energy: -45.444 Base-Backbone interact. energy: -0.001 local terms energy: -53.146064 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -8.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -81.751310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.751310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.751310 (E_RNA) where: Base-Base interactions energy: -40.109 where: short stacking energy: -20.774 Base-Backbone interact. energy: -0.386 local terms energy: -41.256097 where: bonds (distance) C4'-P energy: -12.790 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: 1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -93.312626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.312626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.312626 (E_RNA) where: Base-Base interactions energy: -46.339 where: short stacking energy: -44.782 Base-Backbone interact. energy: 1.760 local terms energy: -48.734267 where: bonds (distance) C4'-P energy: -8.973 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -8.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -76.274144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.274144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.274144 (E_RNA) where: Base-Base interactions energy: -35.988 where: short stacking energy: -31.889 Base-Backbone interact. energy: -0.010 local terms energy: -40.275927 where: bonds (distance) C4'-P energy: -12.757 bonds (distance) P-C4' energy: -11.828 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: 0.049 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -79.060741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.060741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.060741 (E_RNA) where: Base-Base interactions energy: -39.950 where: short stacking energy: -24.285 Base-Backbone interact. energy: -0.033 local terms energy: -39.078304 where: bonds (distance) C4'-P energy: -7.163 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -77.747696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.747696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.747696 (E_RNA) where: Base-Base interactions energy: -28.798 where: short stacking energy: -28.798 Base-Backbone interact. energy: -0.044 local terms energy: -48.905957 where: bonds (distance) C4'-P energy: -10.487 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -13.830 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -158.672780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.672780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.672780 (E_RNA) where: Base-Base interactions energy: -98.418 where: short stacking energy: -57.705 Base-Backbone interact. energy: -0.604 local terms energy: -59.651215 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -13.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -158.331518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.331518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.331518 (E_RNA) where: Base-Base interactions energy: -101.505 where: short stacking energy: -60.126 Base-Backbone interact. energy: 0.037 local terms energy: -56.863521 where: bonds (distance) C4'-P energy: -11.171 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -11.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -156.709127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.709127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.709127 (E_RNA) where: Base-Base interactions energy: -96.849 where: short stacking energy: -54.215 Base-Backbone interact. energy: -0.118 local terms energy: -59.742612 where: bonds (distance) C4'-P energy: -15.063 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -11.698 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: 4, replica: 6 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -146.859492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.859492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.859492 (E_RNA) where: Base-Base interactions energy: -91.118 where: short stacking energy: -54.080 Base-Backbone interact. energy: -0.004 local terms energy: -55.737770 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -13.131 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -111.539448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.539448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.539448 (E_RNA) where: Base-Base interactions energy: -57.481 where: short stacking energy: -57.481 Base-Backbone interact. energy: -0.062 local terms energy: -53.997164 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -4.662 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: 6, replica: 2 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -96.609726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.609726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.609726 (E_RNA) where: Base-Base interactions energy: -45.368 where: short stacking energy: -38.033 Base-Backbone interact. energy: -0.001 local terms energy: -51.240345 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -14.164 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -9.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -83.711623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.711623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.711623 (E_RNA) where: Base-Base interactions energy: -40.936 where: short stacking energy: -40.936 Base-Backbone interact. energy: -0.134 local terms energy: -42.641539 where: bonds (distance) C4'-P energy: -9.921 bonds (distance) P-C4' energy: -10.298 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -8.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -102.211704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.211704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.211704 (E_RNA) where: Base-Base interactions energy: -45.147 where: short stacking energy: -45.147 Base-Backbone interact. energy: -0.012 local terms energy: -57.052587 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -11.467 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: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -77.217856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.217856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.217856 (E_RNA) where: Base-Base interactions energy: -29.204 where: short stacking energy: -29.204 Base-Backbone interact. energy: 0.365 local terms energy: -48.378942 where: bonds (distance) C4'-P energy: -10.976 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -72.645009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.645009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.645009 (E_RNA) where: Base-Base interactions energy: -31.906 where: short stacking energy: -31.077 Base-Backbone interact. energy: 0.080 local terms energy: -40.819273 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -10.354 flat angles C4'-P-C4' energy: -10.414 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: 0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -146.015304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.015304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.015304 (E_RNA) where: Base-Base interactions energy: -85.320 where: short stacking energy: -53.846 Base-Backbone interact. energy: -1.157 local terms energy: -59.539047 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -11.363 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: 10 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -150.841058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.841058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.841058 (E_RNA) where: Base-Base interactions energy: -94.568 where: short stacking energy: -65.483 Base-Backbone interact. energy: -0.035 local terms energy: -56.238746 where: bonds (distance) C4'-P energy: -12.185 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -10.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -151.550506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.550506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.550506 (E_RNA) where: Base-Base interactions energy: -93.937 where: short stacking energy: -61.772 Base-Backbone interact. energy: -0.157 local terms energy: -57.456973 where: bonds (distance) C4'-P energy: -10.608 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -16.334 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: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -130.858318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.858318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.858318 (E_RNA) where: Base-Base interactions energy: -73.834 where: short stacking energy: -40.912 Base-Backbone interact. energy: 1.432 local terms energy: -58.456343 where: bonds (distance) C4'-P energy: -10.472 bonds (distance) P-C4' energy: -12.971 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -11.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -106.206097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.206097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.206097 (E_RNA) where: Base-Base interactions energy: -51.035 where: short stacking energy: -51.035 Base-Backbone interact. energy: -0.154 local terms energy: -55.016787 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -8.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -112.495604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.495604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.495604 (E_RNA) where: Base-Base interactions energy: -55.954 where: short stacking energy: -55.954 Base-Backbone interact. energy: -0.001 local terms energy: -56.540919 where: bonds (distance) C4'-P energy: -6.129 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -11.136 flat angles P-C4'-P energy: -8.765 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: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -88.930291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.930291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.930291 (E_RNA) where: Base-Base interactions energy: -36.562 where: short stacking energy: -35.938 Base-Backbone interact. energy: -0.029 local terms energy: -52.339783 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -11.205 tors. eta vs tors. theta energy: -5.355 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: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -94.050452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.050452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.050452 (E_RNA) where: Base-Base interactions energy: -46.410 where: short stacking energy: -33.132 Base-Backbone interact. energy: -0.038 local terms energy: -47.603145 where: bonds (distance) C4'-P energy: -11.966 bonds (distance) P-C4' energy: -12.432 flat angles C4'-P-C4' energy: -13.287 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -81.767170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.767170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.767170 (E_RNA) where: Base-Base interactions energy: -44.892 where: short stacking energy: -41.193 Base-Backbone interact. energy: -0.142 local terms energy: -36.734020 where: bonds (distance) C4'-P energy: -7.975 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -2.967 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -7.181 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: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -74.293431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.293431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.293431 (E_RNA) where: Base-Base interactions energy: -28.793 where: short stacking energy: -24.044 Base-Backbone interact. energy: -0.392 local terms energy: -45.109089 where: bonds (distance) C4'-P energy: -7.682 bonds (distance) P-C4' energy: -11.265 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -6.359 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: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -162.530502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.530502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.530502 (E_RNA) where: Base-Base interactions energy: -98.787 where: short stacking energy: -60.411 Base-Backbone interact. energy: -0.352 local terms energy: -63.391606 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -14.470 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: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -150.475809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.475809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.475809 (E_RNA) where: Base-Base interactions energy: -88.344 where: short stacking energy: -46.704 Base-Backbone interact. energy: -0.003 local terms energy: -62.129645 where: bonds (distance) C4'-P energy: -15.683 bonds (distance) P-C4' energy: -9.928 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -11.492 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: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -147.487229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.487229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.487229 (E_RNA) where: Base-Base interactions energy: -89.985 where: short stacking energy: -55.709 Base-Backbone interact. energy: -0.044 local terms energy: -57.458170 where: bonds (distance) C4'-P energy: -13.643 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -8.753 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: 7 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -148.986531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.986531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.986531 (E_RNA) where: Base-Base interactions energy: -91.401 where: short stacking energy: -54.105 Base-Backbone interact. energy: -0.006 local terms energy: -57.579492 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -10.274 flat angles C4'-P-C4' energy: -14.971 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -15.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -110.939681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.939681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.939681 (E_RNA) where: Base-Base interactions energy: -51.119 where: short stacking energy: -51.119 Base-Backbone interact. energy: -0.041 local terms energy: -59.779852 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -14.094 flat angles C4'-P-C4' energy: -11.031 flat angles P-C4'-P energy: -8.161 tors. eta vs tors. theta energy: -12.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -109.627746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.627746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.627746 (E_RNA) where: Base-Base interactions energy: -55.128 where: short stacking energy: -54.378 Base-Backbone interact. energy: -0.003 local terms energy: -54.496903 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -12.390 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -125.808136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.808136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.808136 (E_RNA) where: Base-Base interactions energy: -73.652 where: short stacking energy: -39.827 Base-Backbone interact. energy: -0.438 local terms energy: -51.718421 where: bonds (distance) C4'-P energy: -10.000 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -10.566 flat angles P-C4'-P energy: -7.499 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: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -84.978837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.978837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.978837 (E_RNA) where: Base-Base interactions energy: -36.467 where: short stacking energy: -28.247 Base-Backbone interact. energy: -0.182 local terms energy: -48.329938 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -2.579 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: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -80.075662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.075662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.075662 (E_RNA) where: Base-Base interactions energy: -33.802 where: short stacking energy: -28.174 Base-Backbone interact. energy: -0.025 local terms energy: -46.248811 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -9.699 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -75.180967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.180967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.180967 (E_RNA) where: Base-Base interactions energy: -30.968 where: short stacking energy: -28.663 Base-Backbone interact. energy: -0.504 local terms energy: -43.709411 where: bonds (distance) C4'-P energy: -7.582 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -10.284 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -0.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -165.565413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.565413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.565413 (E_RNA) where: Base-Base interactions energy: -106.019 where: short stacking energy: -63.155 Base-Backbone interact. energy: -0.048 local terms energy: -59.498774 where: bonds (distance) C4'-P energy: -8.112 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -11.182 tors. eta vs tors. theta energy: -13.029 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: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -142.176799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.176799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.176799 (E_RNA) where: Base-Base interactions energy: -87.677 where: short stacking energy: -58.514 Base-Backbone interact. energy: -0.100 local terms energy: -54.399652 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -12.791 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -6.360 tors. eta vs tors. theta energy: -9.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -145.895124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.895124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.895124 (E_RNA) where: Base-Base interactions energy: -85.049 where: short stacking energy: -56.147 Base-Backbone interact. energy: -0.004 local terms energy: -60.842223 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -12.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -153.404477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.404477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.404477 (E_RNA) where: Base-Base interactions energy: -92.382 where: short stacking energy: -55.988 Base-Backbone interact. energy: 1.175 local terms energy: -62.197008 where: bonds (distance) C4'-P energy: -14.831 bonds (distance) P-C4' energy: -12.774 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -7.560 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: 5, replica: 1 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -102.802449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.802449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.802449 (E_RNA) where: Base-Base interactions energy: -59.857 where: short stacking energy: -42.101 Base-Backbone interact. energy: -0.061 local terms energy: -42.884626 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -4.284 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: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -137.542836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.542836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.542836 (E_RNA) where: Base-Base interactions energy: -85.885 where: short stacking energy: -50.465 Base-Backbone interact. energy: -0.014 local terms energy: -51.644594 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -3.294 tors. eta vs tors. theta energy: -12.072 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: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -88.506100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.506100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.506100 (E_RNA) where: Base-Base interactions energy: -44.077 where: short stacking energy: -39.746 Base-Backbone interact. energy: -0.004 local terms energy: -44.425350 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -6.448 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -7.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -100.668655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.668655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.668655 (E_RNA) where: Base-Base interactions energy: -48.660 where: short stacking energy: -47.526 Base-Backbone interact. energy: -0.524 local terms energy: -51.484999 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -10.538 flat angles C4'-P-C4' energy: -10.686 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -10.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -81.716951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.716951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.716951 (E_RNA) where: Base-Base interactions energy: -34.292 where: short stacking energy: -32.531 Base-Backbone interact. energy: -0.054 local terms energy: -47.371121 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -15.338 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -81.139532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.139532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.139532 (E_RNA) where: Base-Base interactions energy: -29.080 where: short stacking energy: -29.080 Base-Backbone interact. energy: -0.034 local terms energy: -52.026005 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -165.490697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.490697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.490697 (E_RNA) where: Base-Base interactions energy: -111.823 where: short stacking energy: -60.166 Base-Backbone interact. energy: -0.716 local terms energy: -52.951343 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -10.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -161.209296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.209296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.209296 (E_RNA) where: Base-Base interactions energy: -94.420 where: short stacking energy: -57.916 Base-Backbone interact. energy: -0.034 local terms energy: -66.755095 where: bonds (distance) C4'-P energy: -14.040 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -9.794 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: 3, replica: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -146.950351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.950351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.950351 (E_RNA) where: Base-Base interactions energy: -88.882 where: short stacking energy: -54.459 Base-Backbone interact. energy: -0.106 local terms energy: -57.961754 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -11.817 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -9.363 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: 4, replica: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -142.417342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.417342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.417342 (E_RNA) where: Base-Base interactions energy: -79.134 where: short stacking energy: -49.331 Base-Backbone interact. energy: -0.008 local terms energy: -63.275803 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -12.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -125.965382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.965382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.965382 (E_RNA) where: Base-Base interactions energy: -74.744 where: short stacking energy: -47.746 Base-Backbone interact. energy: -0.071 local terms energy: -51.150564 where: bonds (distance) C4'-P energy: -10.409 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -5.760 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: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -82.886753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.886753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.886753 (E_RNA) where: Base-Base interactions energy: -30.509 where: short stacking energy: -29.774 Base-Backbone interact. energy: 0.465 local terms energy: -52.842936 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -87.243223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.243223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.243223 (E_RNA) where: Base-Base interactions energy: -39.089 where: short stacking energy: -33.530 Base-Backbone interact. energy: -0.550 local terms energy: -47.604002 where: bonds (distance) C4'-P energy: -11.634 bonds (distance) P-C4' energy: -12.223 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -0.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -81.134914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.134914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.134914 (E_RNA) where: Base-Base interactions energy: -29.247 where: short stacking energy: -29.058 Base-Backbone interact. energy: -0.916 local terms energy: -50.970979 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -71.156200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.156200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.156200 (E_RNA) where: Base-Base interactions energy: -26.113 where: short stacking energy: -26.113 Base-Backbone interact. energy: -0.209 local terms energy: -44.834057 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -80.371694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.371694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.371694 (E_RNA) where: Base-Base interactions energy: -32.776 where: short stacking energy: -32.776 Base-Backbone interact. energy: -0.135 local terms energy: -47.460232 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -7.403 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: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -168.488034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.488034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.488034 (E_RNA) where: Base-Base interactions energy: -107.941 where: short stacking energy: -64.581 Base-Backbone interact. energy: -1.555 local terms energy: -58.992488 where: bonds (distance) C4'-P energy: -12.442 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -10.722 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: 445 Temperature: 0.950000 Total energy: -158.344514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.344514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.344514 (E_RNA) where: Base-Base interactions energy: -97.610 where: short stacking energy: -62.863 Base-Backbone interact. energy: -0.035 local terms energy: -60.699876 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -9.913 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: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -153.600876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.600876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.600876 (E_RNA) where: Base-Base interactions energy: -91.366 where: short stacking energy: -62.207 Base-Backbone interact. energy: 0.388 local terms energy: -62.622532 where: bonds (distance) C4'-P energy: -14.690 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -10.105 tors. eta vs tors. theta energy: -11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -143.570876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.570876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.570876 (E_RNA) where: Base-Base interactions energy: -84.211 where: short stacking energy: -53.009 Base-Backbone interact. energy: -0.002 local terms energy: -59.357831 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -15.009 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -13.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -132.057838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.057838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.057838 (E_RNA) where: Base-Base interactions energy: -78.867 where: short stacking energy: -45.475 Base-Backbone interact. energy: -0.091 local terms energy: -53.099577 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -7.536 tors. eta vs tors. theta energy: -9.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -115.762656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.762656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.762656 (E_RNA) where: Base-Base interactions energy: -61.009 where: short stacking energy: -51.268 Base-Backbone interact. energy: -0.017 local terms energy: -54.735852 where: bonds (distance) C4'-P energy: -9.867 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -8.985 tors. eta vs tors. theta energy: -10.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -85.280878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.280878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.280878 (E_RNA) where: Base-Base interactions energy: -38.479 where: short stacking energy: -29.935 Base-Backbone interact. energy: -0.233 local terms energy: -46.568894 where: bonds (distance) C4'-P energy: -7.536 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -7.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -80.345618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.345618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.345618 (E_RNA) where: Base-Base interactions energy: -37.021 where: short stacking energy: -29.000 Base-Backbone interact. energy: 0.276 local terms energy: -43.600683 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -0.858 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: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -75.364277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.364277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.364277 (E_RNA) where: Base-Base interactions energy: -31.448 where: short stacking energy: -27.050 Base-Backbone interact. energy: 2.209 local terms energy: -46.125454 where: bonds (distance) C4'-P energy: -12.213 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -3.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -85.335388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.335388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.335388 (E_RNA) where: Base-Base interactions energy: -41.882 where: short stacking energy: -37.559 Base-Backbone interact. energy: -0.384 local terms energy: -43.068893 where: bonds (distance) C4'-P energy: -12.061 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -5.302 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -173.407245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.407245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.407245 (E_RNA) where: Base-Base interactions energy: -106.951 where: short stacking energy: -65.024 Base-Backbone interact. energy: -0.368 local terms energy: -66.088595 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -11.541 tors. eta vs tors. theta energy: -13.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -158.250483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.250483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.250483 (E_RNA) where: Base-Base interactions energy: -103.067 where: short stacking energy: -58.602 Base-Backbone interact. energy: -0.119 local terms energy: -55.063960 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -9.095 tors. eta vs tors. theta energy: -11.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -141.343991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.343991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.343991 (E_RNA) where: Base-Base interactions energy: -83.188 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.075 local terms energy: -58.080877 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -11.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -127.970546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.970546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.970546 (E_RNA) where: Base-Base interactions energy: -74.276 where: short stacking energy: -43.913 Base-Backbone interact. energy: 1.084 local terms energy: -54.778782 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -12.643 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -95.927902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.927902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.927902 (E_RNA) where: Base-Base interactions energy: -46.559 where: short stacking energy: -41.689 Base-Backbone interact. energy: 0.192 local terms energy: -49.560912 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -132.170156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.170156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.170156 (E_RNA) where: Base-Base interactions energy: -70.898 where: short stacking energy: -49.353 Base-Backbone interact. energy: -0.049 local terms energy: -61.223051 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -13.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -94.410434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.410434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.410434 (E_RNA) where: Base-Base interactions energy: -45.651 where: short stacking energy: -45.473 Base-Backbone interact. energy: -0.143 local terms energy: -48.616407 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -9.275 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -8.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -92.380743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.380743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.380743 (E_RNA) where: Base-Base interactions energy: -38.633 where: short stacking energy: -35.090 Base-Backbone interact. energy: -0.001 local terms energy: -53.746890 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -9.031 tors. eta vs tors. theta energy: -6.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -80.985717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.985717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.985717 (E_RNA) where: Base-Base interactions energy: -34.167 where: short stacking energy: -31.834 Base-Backbone interact. energy: -0.191 local terms energy: -46.627531 where: bonds (distance) C4'-P energy: -11.899 bonds (distance) P-C4' energy: -9.199 flat angles C4'-P-C4' energy: -11.275 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -70.333530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.333530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.333530 (E_RNA) where: Base-Base interactions energy: -28.540 where: short stacking energy: -28.540 Base-Backbone interact. energy: -0.127 local terms energy: -41.666355 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -8.988 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -174.441308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.441308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.441308 (E_RNA) where: Base-Base interactions energy: -107.734 where: short stacking energy: -70.701 Base-Backbone interact. energy: -0.020 local terms energy: -66.687676 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -143.342683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.342683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.342683 (E_RNA) where: Base-Base interactions energy: -86.150 where: short stacking energy: -56.768 Base-Backbone interact. energy: -0.587 local terms energy: -56.605802 where: bonds (distance) C4'-P energy: -9.995 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -8.295 tors. eta vs tors. theta energy: -11.648 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: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -147.560162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.560162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.560162 (E_RNA) where: Base-Base interactions energy: -89.801 where: short stacking energy: -55.374 Base-Backbone interact. energy: 0.511 local terms energy: -58.270013 where: bonds (distance) C4'-P energy: -12.136 bonds (distance) P-C4' energy: -13.041 flat angles C4'-P-C4' energy: -14.953 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -10.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -132.130126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.130126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.130126 (E_RNA) where: Base-Base interactions energy: -70.980 where: short stacking energy: -46.751 Base-Backbone interact. energy: 1.017 local terms energy: -62.167070 where: bonds (distance) C4'-P energy: -13.767 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -9.509 tors. eta vs tors. theta energy: -9.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -130.010020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.010020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.010020 (E_RNA) where: Base-Base interactions energy: -75.710 where: short stacking energy: -46.485 Base-Backbone interact. energy: -0.008 local terms energy: -54.292055 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -11.492 flat angles P-C4'-P energy: -10.377 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -128.691402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.691402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.691402 (E_RNA) where: Base-Base interactions energy: -80.549 where: short stacking energy: -45.012 Base-Backbone interact. energy: -0.058 local terms energy: -48.084581 where: bonds (distance) C4'-P energy: -8.621 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -85.767921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.767921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.767921 (E_RNA) where: Base-Base interactions energy: -45.438 where: short stacking energy: -30.552 Base-Backbone interact. energy: -0.196 local terms energy: -40.134119 where: bonds (distance) C4'-P energy: -7.500 bonds (distance) P-C4' energy: -9.685 flat angles C4'-P-C4' energy: -13.167 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: 1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -82.863774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.863774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.863774 (E_RNA) where: Base-Base interactions energy: -35.153 where: short stacking energy: -35.153 Base-Backbone interact. energy: -0.016 local terms energy: -47.694635 where: bonds (distance) C4'-P energy: -8.443 bonds (distance) P-C4' energy: -10.123 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -9.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -78.139838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.139838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.139838 (E_RNA) where: Base-Base interactions energy: -39.952 where: short stacking energy: -36.787 Base-Backbone interact. energy: -0.100 local terms energy: -38.087460 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -9.700 flat angles P-C4'-P energy: -5.805 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -70.803691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.803691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.803691 (E_RNA) where: Base-Base interactions energy: -23.151 where: short stacking energy: -23.151 Base-Backbone interact. energy: -0.035 local terms energy: -47.617588 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -10.893 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -5.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -170.977575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.977575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.977575 (E_RNA) where: Base-Base interactions energy: -102.085 where: short stacking energy: -66.215 Base-Backbone interact. energy: -0.004 local terms energy: -68.888392 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -15.334 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -17.346 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: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -132.688113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.688113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.688113 (E_RNA) where: Base-Base interactions energy: -85.035 where: short stacking energy: -44.207 Base-Backbone interact. energy: -0.155 local terms energy: -47.498373 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -12.304 flat angles P-C4'-P energy: -4.463 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: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -142.946890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.946890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.946890 (E_RNA) where: Base-Base interactions energy: -85.391 where: short stacking energy: -49.295 Base-Backbone interact. energy: -0.046 local terms energy: -57.509485 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -9.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -109.452463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.452463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.452463 (E_RNA) where: Base-Base interactions energy: -62.650 where: short stacking energy: -33.724 Base-Backbone interact. energy: -0.245 local terms energy: -46.556957 where: bonds (distance) C4'-P energy: -7.624 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -133.879680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.879680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.879680 (E_RNA) where: Base-Base interactions energy: -84.323 where: short stacking energy: -40.443 Base-Backbone interact. energy: 1.033 local terms energy: -50.589019 where: bonds (distance) C4'-P energy: -10.408 bonds (distance) P-C4' energy: -13.161 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -131.063354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.063354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.063354 (E_RNA) where: Base-Base interactions energy: -76.793 where: short stacking energy: -50.618 Base-Backbone interact. energy: -0.000 local terms energy: -54.269978 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -11.579 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -13.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -97.846650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.846650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.846650 (E_RNA) where: Base-Base interactions energy: -41.030 where: short stacking energy: -41.030 Base-Backbone interact. energy: -0.021 local terms energy: -56.795880 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -9.706 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: -8.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -83.051594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.051594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.051594 (E_RNA) where: Base-Base interactions energy: -31.703 where: short stacking energy: -29.639 Base-Backbone interact. energy: -0.762 local terms energy: -50.586307 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -82.261759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.261759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.261759 (E_RNA) where: Base-Base interactions energy: -36.929 where: short stacking energy: -32.122 Base-Backbone interact. energy: -0.098 local terms energy: -45.234640 where: bonds (distance) C4'-P energy: -10.604 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -76.984089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.984089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.984089 (E_RNA) where: Base-Base interactions energy: -40.425 where: short stacking energy: -25.127 Base-Backbone interact. energy: -0.915 local terms energy: -35.644457 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -5.987 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -171.476608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.476608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.476608 (E_RNA) where: Base-Base interactions energy: -101.906 where: short stacking energy: -65.318 Base-Backbone interact. energy: -0.016 local terms energy: -69.555121 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -19.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -142.558401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.558401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.558401 (E_RNA) where: Base-Base interactions energy: -86.751 where: short stacking energy: -44.666 Base-Backbone interact. energy: -0.062 local terms energy: -55.745572 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -13.558 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -10.250 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: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -146.078386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.078386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.078386 (E_RNA) where: Base-Base interactions energy: -91.426 where: short stacking energy: -53.503 Base-Backbone interact. energy: -0.387 local terms energy: -54.265194 where: bonds (distance) C4'-P energy: -14.686 bonds (distance) P-C4' energy: -12.640 flat angles C4'-P-C4' energy: -10.076 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -13.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -130.269257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.269257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.269257 (E_RNA) where: Base-Base interactions energy: -72.200 where: short stacking energy: -44.682 Base-Backbone interact. energy: -0.127 local terms energy: -57.942576 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -11.165 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -11.806 tors. eta vs tors. theta energy: -10.137 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: 2 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -100.442618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.442618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.442618 (E_RNA) where: Base-Base interactions energy: -45.615 where: short stacking energy: -45.884 Base-Backbone interact. energy: -0.008 local terms energy: -54.819576 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -11.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -128.326354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.326354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.326354 (E_RNA) where: Base-Base interactions energy: -77.255 where: short stacking energy: -46.059 Base-Backbone interact. energy: -0.137 local terms energy: -50.933744 where: bonds (distance) C4'-P energy: -10.617 bonds (distance) P-C4' energy: -10.682 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -7.444 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: 8 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -81.941106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.941106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.941106 (E_RNA) where: Base-Base interactions energy: -32.994 where: short stacking energy: -28.068 Base-Backbone interact. energy: 0.541 local terms energy: -49.487798 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -8.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -96.994679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.994679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.994679 (E_RNA) where: Base-Base interactions energy: -41.933 where: short stacking energy: -35.139 Base-Backbone interact. energy: -0.266 local terms energy: -54.795523 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -9.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -69.661005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.661005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.661005 (E_RNA) where: Base-Base interactions energy: -31.050 where: short stacking energy: -25.541 Base-Backbone interact. energy: -0.698 local terms energy: -37.913708 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: 1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -88.646423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.646423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.646423 (E_RNA) where: Base-Base interactions energy: -43.903 where: short stacking energy: -17.978 Base-Backbone interact. energy: -0.890 local terms energy: -43.852746 where: bonds (distance) C4'-P energy: -10.065 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -9.320 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -162.834109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.834109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.834109 (E_RNA) where: Base-Base interactions energy: -101.073 where: short stacking energy: -63.031 Base-Backbone interact. energy: -0.007 local terms energy: -61.754536 where: bonds (distance) C4'-P energy: -12.868 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -9.389 flat angles P-C4'-P energy: -9.096 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: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -147.186763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.186763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.186763 (E_RNA) where: Base-Base interactions energy: -90.470 where: short stacking energy: -56.286 Base-Backbone interact. energy: -0.455 local terms energy: -56.261913 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -12.988 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: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -158.638209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.638209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.638209 (E_RNA) where: Base-Base interactions energy: -96.447 where: short stacking energy: -54.183 Base-Backbone interact. energy: -0.720 local terms energy: -61.471229 where: bonds (distance) C4'-P energy: -13.593 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -12.679 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: 450 Temperature: 1.050000 Total energy: -124.333346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.333346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.333346 (E_RNA) where: Base-Base interactions energy: -75.147 where: short stacking energy: -41.130 Base-Backbone interact. energy: 0.032 local terms energy: -49.217769 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -6.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -137.726356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.726356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.726356 (E_RNA) where: Base-Base interactions energy: -80.848 where: short stacking energy: -49.187 Base-Backbone interact. energy: 0.356 local terms energy: -57.234804 where: bonds (distance) C4'-P energy: -14.148 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -13.654 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: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -109.780333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.780333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.780333 (E_RNA) where: Base-Base interactions energy: -54.072 where: short stacking energy: -54.072 Base-Backbone interact. energy: -0.005 local terms energy: -55.702965 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -0.676 tors. eta vs tors. theta energy: -14.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -82.238801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.238801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.238801 (E_RNA) where: Base-Base interactions energy: -34.987 where: short stacking energy: -34.987 Base-Backbone interact. energy: 0.233 local terms energy: -47.484371 where: bonds (distance) C4'-P energy: -8.197 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -9.842 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: 450 Temperature: 1.250000 Total energy: -85.785007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.785007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.785007 (E_RNA) where: Base-Base interactions energy: -39.221 where: short stacking energy: -37.804 Base-Backbone interact. energy: -0.098 local terms energy: -46.465912 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -76.700712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.700712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.700712 (E_RNA) where: Base-Base interactions energy: -34.351 where: short stacking energy: -34.351 Base-Backbone interact. energy: -0.014 local terms energy: -42.336026 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -10.759 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -6.644 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: 1 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -77.601594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.601594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.601594 (E_RNA) where: Base-Base interactions energy: -31.808 where: short stacking energy: -30.106 Base-Backbone interact. energy: -0.010 local terms energy: -45.782917 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -9.835 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -4.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -167.240947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.240947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.240947 (E_RNA) where: Base-Base interactions energy: -99.946 where: short stacking energy: -65.414 Base-Backbone interact. energy: -0.044 local terms energy: -67.251857 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -16.175 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: 451 Temperature: 0.950000 Total energy: -155.917032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.917032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.917032 (E_RNA) where: Base-Base interactions energy: -96.902 where: short stacking energy: -60.790 Base-Backbone interact. energy: 0.247 local terms energy: -59.262618 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -9.216 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -15.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -154.730147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.730147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.730147 (E_RNA) where: Base-Base interactions energy: -92.445 where: short stacking energy: -56.036 Base-Backbone interact. energy: 0.195 local terms energy: -62.480238 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -11.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -127.901598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.901598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.901598 (E_RNA) where: Base-Base interactions energy: -74.239 where: short stacking energy: -44.571 Base-Backbone interact. energy: -0.054 local terms energy: -53.608676 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -10.916 flat angles P-C4'-P energy: -11.421 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -137.378928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.378928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.378928 (E_RNA) where: Base-Base interactions energy: -82.136 where: short stacking energy: -54.241 Base-Backbone interact. energy: -0.011 local terms energy: -55.232020 where: bonds (distance) C4'-P energy: -13.535 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -10.297 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -11.683 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: 6, replica: 8 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -111.319560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.319560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.319560 (E_RNA) where: Base-Base interactions energy: -55.761 where: short stacking energy: -43.311 Base-Backbone interact. energy: -0.316 local terms energy: -55.242817 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -11.643 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -111.168854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.168854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.168854 (E_RNA) where: Base-Base interactions energy: -59.202 where: short stacking energy: -45.301 Base-Backbone interact. energy: -0.086 local terms energy: -51.881153 where: bonds (distance) C4'-P energy: -11.246 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -12.548 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -76.000485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.000485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.000485 (E_RNA) where: Base-Base interactions energy: -24.264 where: short stacking energy: -24.264 Base-Backbone interact. energy: -0.112 local terms energy: -51.623746 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -83.982916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.982916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.982916 (E_RNA) where: Base-Base interactions energy: -36.608 where: short stacking energy: -32.003 Base-Backbone interact. energy: 1.120 local terms energy: -48.495337 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -3.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -75.332526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.332526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.332526 (E_RNA) where: Base-Base interactions energy: -35.099 where: short stacking energy: -33.407 Base-Backbone interact. energy: 1.923 local terms energy: -42.156967 where: bonds (distance) C4'-P energy: -7.632 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -164.619439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.619439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.619439 (E_RNA) where: Base-Base interactions energy: -97.645 where: short stacking energy: -61.231 Base-Backbone interact. energy: -0.017 local terms energy: -66.957885 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -15.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -162.904511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.904511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.904511 (E_RNA) where: Base-Base interactions energy: -97.966 where: short stacking energy: -63.134 Base-Backbone interact. energy: -0.003 local terms energy: -64.935793 where: bonds (distance) C4'-P energy: -15.045 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -8.605 flat angles P-C4'-P energy: -11.036 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: 3, replica: 6 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -161.939679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.939679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.939679 (E_RNA) where: Base-Base interactions energy: -99.049 where: short stacking energy: -61.308 Base-Backbone interact. energy: -0.521 local terms energy: -62.369704 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -12.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -145.666595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.666595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.666595 (E_RNA) where: Base-Base interactions energy: -89.778 where: short stacking energy: -63.159 Base-Backbone interact. energy: 0.029 local terms energy: -55.917142 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -12.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -119.380399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.380399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.380399 (E_RNA) where: Base-Base interactions energy: -65.110 where: short stacking energy: -45.149 Base-Backbone interact. energy: 2.280 local terms energy: -56.550468 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -12.702 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -11.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -122.279995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.279995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.279995 (E_RNA) where: Base-Base interactions energy: -72.102 where: short stacking energy: -44.208 Base-Backbone interact. energy: -0.199 local terms energy: -49.978861 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -12.695 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -95.804340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.804340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.804340 (E_RNA) where: Base-Base interactions energy: -42.709 where: short stacking energy: -32.687 Base-Backbone interact. energy: -0.047 local terms energy: -53.048449 where: bonds (distance) C4'-P energy: -14.086 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -113.132026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.132026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.132026 (E_RNA) where: Base-Base interactions energy: -63.311 where: short stacking energy: -38.490 Base-Backbone interact. energy: -0.033 local terms energy: -49.787459 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -10.674 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -77.591792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.591792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.591792 (E_RNA) where: Base-Base interactions energy: -28.982 where: short stacking energy: -24.119 Base-Backbone interact. energy: 0.479 local terms energy: -49.088358 where: bonds (distance) C4'-P energy: -10.853 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -10.218 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -68.713277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.713277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.713277 (E_RNA) where: Base-Base interactions energy: -30.553 where: short stacking energy: -30.553 Base-Backbone interact. energy: 1.480 local terms energy: -39.641117 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -2.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -160.515184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.515184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.515184 (E_RNA) where: Base-Base interactions energy: -93.336 where: short stacking energy: -58.762 Base-Backbone interact. energy: -0.176 local terms energy: -67.003295 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -15.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -160.298207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.298207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.298207 (E_RNA) where: Base-Base interactions energy: -99.961 where: short stacking energy: -61.906 Base-Backbone interact. energy: -0.267 local terms energy: -60.069818 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -13.142 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: 3, replica: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -152.132108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.132108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.132108 (E_RNA) where: Base-Base interactions energy: -87.574 where: short stacking energy: -46.781 Base-Backbone interact. energy: -0.529 local terms energy: -64.028809 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -15.784 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -10.210 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: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -127.566295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.566295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.566295 (E_RNA) where: Base-Base interactions energy: -82.549 where: short stacking energy: -47.907 Base-Backbone interact. energy: -0.002 local terms energy: -45.015419 where: bonds (distance) C4'-P energy: -8.027 bonds (distance) P-C4' energy: -11.584 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -9.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -106.233844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.233844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.233844 (E_RNA) where: Base-Base interactions energy: -59.857 where: short stacking energy: -35.145 Base-Backbone interact. energy: -0.116 local terms energy: -46.260328 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -4.031 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: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -133.156008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.156008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.156008 (E_RNA) where: Base-Base interactions energy: -79.498 where: short stacking energy: -51.214 Base-Backbone interact. energy: -0.787 local terms energy: -52.871292 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -9.456 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -6.599 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: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -84.534865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.534865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.534865 (E_RNA) where: Base-Base interactions energy: -32.527 where: short stacking energy: -32.527 Base-Backbone interact. energy: -0.084 local terms energy: -51.923812 where: bonds (distance) C4'-P energy: -15.444 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -75.008189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.008189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.008189 (E_RNA) where: Base-Base interactions energy: -34.214 where: short stacking energy: -23.189 Base-Backbone interact. energy: -0.139 local terms energy: -40.655694 where: bonds (distance) C4'-P energy: -7.425 bonds (distance) P-C4' energy: -12.383 flat angles C4'-P-C4' energy: -10.618 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -77.941206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.941206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.941206 (E_RNA) where: Base-Base interactions energy: -40.835 where: short stacking energy: -29.979 Base-Backbone interact. energy: -0.272 local terms energy: -36.834033 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -5.026 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: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -76.801176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.801176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.801176 (E_RNA) where: Base-Base interactions energy: -37.302 where: short stacking energy: -37.302 Base-Backbone interact. energy: 1.326 local terms energy: -40.825554 where: bonds (distance) C4'-P energy: -5.694 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -9.099 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -8.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -155.041031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.041031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.041031 (E_RNA) where: Base-Base interactions energy: -90.115 where: short stacking energy: -54.537 Base-Backbone interact. energy: -0.001 local terms energy: -64.925424 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -12.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -158.158301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.158301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.158301 (E_RNA) where: Base-Base interactions energy: -94.993 where: short stacking energy: -60.669 Base-Backbone interact. energy: -0.002 local terms energy: -63.163233 where: bonds (distance) C4'-P energy: -10.542 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -8.395 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: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -139.023172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.023172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.023172 (E_RNA) where: Base-Base interactions energy: -83.163 where: short stacking energy: -49.107 Base-Backbone interact. energy: -0.051 local terms energy: -55.809602 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -11.383 flat angles C4'-P-C4' energy: -14.747 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -153.874255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.874255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.874255 (E_RNA) where: Base-Base interactions energy: -92.958 where: short stacking energy: -60.164 Base-Backbone interact. energy: -0.005 local terms energy: -60.911600 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -9.017 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -16.300 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: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -120.670474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.670474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.670474 (E_RNA) where: Base-Base interactions energy: -75.481 where: short stacking energy: -47.009 Base-Backbone interact. energy: -0.133 local terms energy: -45.056301 where: bonds (distance) C4'-P energy: -7.954 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -10.364 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -7.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -96.944866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.944866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.944866 (E_RNA) where: Base-Base interactions energy: -50.516 where: short stacking energy: -37.265 Base-Backbone interact. energy: -0.889 local terms energy: -45.540338 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -11.317 flat angles C4'-P-C4' energy: -10.203 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -82.316772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.316772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.316772 (E_RNA) where: Base-Base interactions energy: -36.452 where: short stacking energy: -36.452 Base-Backbone interact. energy: 0.483 local terms energy: -46.347788 where: bonds (distance) C4'-P energy: -9.569 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -90.418313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.418313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.418313 (E_RNA) where: Base-Base interactions energy: -41.254 where: short stacking energy: -40.063 Base-Backbone interact. energy: -0.365 local terms energy: -48.798844 where: bonds (distance) C4'-P energy: -10.960 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -10.296 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: 9, replica: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -71.463889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.463889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.463889 (E_RNA) where: Base-Base interactions energy: -32.074 where: short stacking energy: -32.074 Base-Backbone interact. energy: -0.197 local terms energy: -39.192657 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -9.408 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -86.525739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.525739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.525739 (E_RNA) where: Base-Base interactions energy: -31.144 where: short stacking energy: -26.082 Base-Backbone interact. energy: -0.003 local terms energy: -55.378636 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -153.838514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.838514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.838514 (E_RNA) where: Base-Base interactions energy: -92.286 where: short stacking energy: -57.596 Base-Backbone interact. energy: -0.770 local terms energy: -60.783192 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.258 flat angles P-C4'-P energy: -9.191 tors. eta vs tors. theta energy: -11.910 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: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -148.743512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.743512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.743512 (E_RNA) where: Base-Base interactions energy: -88.034 where: short stacking energy: -57.135 Base-Backbone interact. energy: -0.021 local terms energy: -60.688459 where: bonds (distance) C4'-P energy: -11.254 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -13.699 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: 455 Temperature: 1.000000 Total energy: -165.743748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.743748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.743748 (E_RNA) where: Base-Base interactions energy: -99.107 where: short stacking energy: -65.449 Base-Backbone interact. energy: -0.552 local terms energy: -66.085319 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -10.230 tors. eta vs tors. theta energy: -17.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -129.026120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.026120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.026120 (E_RNA) where: Base-Base interactions energy: -74.400 where: short stacking energy: -41.916 Base-Backbone interact. energy: -0.178 local terms energy: -54.447799 where: bonds (distance) C4'-P energy: -14.206 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -137.917762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.917762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.917762 (E_RNA) where: Base-Base interactions energy: -81.095 where: short stacking energy: -53.115 Base-Backbone interact. energy: -0.012 local terms energy: -56.810909 where: bonds (distance) C4'-P energy: -13.419 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -92.778945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.778945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.778945 (E_RNA) where: Base-Base interactions energy: -32.946 where: short stacking energy: -32.946 Base-Backbone interact. energy: -0.197 local terms energy: -59.635195 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -9.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -99.329055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.329055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.329055 (E_RNA) where: Base-Base interactions energy: -49.795 where: short stacking energy: -49.795 Base-Backbone interact. energy: -0.117 local terms energy: -49.416792 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -10.536 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -9.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -80.099234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.099234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.099234 (E_RNA) where: Base-Base interactions energy: -29.168 where: short stacking energy: -29.168 Base-Backbone interact. energy: -0.294 local terms energy: -50.638131 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -10.379 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -80.331955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.331955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.331955 (E_RNA) where: Base-Base interactions energy: -29.304 where: short stacking energy: -29.304 Base-Backbone interact. energy: -0.090 local terms energy: -50.937670 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -10.866 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -77.938347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.938347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.938347 (E_RNA) where: Base-Base interactions energy: -34.877 where: short stacking energy: -29.200 Base-Backbone interact. energy: -0.357 local terms energy: -42.703916 where: bonds (distance) C4'-P energy: -10.225 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -11.373 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -158.680034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.680034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.680034 (E_RNA) where: Base-Base interactions energy: -91.997 where: short stacking energy: -61.571 Base-Backbone interact. energy: -0.001 local terms energy: -66.682379 where: bonds (distance) C4'-P energy: -13.050 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -9.701 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: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -147.474665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.474665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.474665 (E_RNA) where: Base-Base interactions energy: -88.401 where: short stacking energy: -50.423 Base-Backbone interact. energy: -0.004 local terms energy: -59.069310 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -11.626 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: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -147.905931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.905931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.905931 (E_RNA) where: Base-Base interactions energy: -88.644 where: short stacking energy: -54.748 Base-Backbone interact. energy: -0.002 local terms energy: -59.259952 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: -12.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -137.654216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.654216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.654216 (E_RNA) where: Base-Base interactions energy: -80.605 where: short stacking energy: -48.893 Base-Backbone interact. energy: -0.024 local terms energy: -57.024585 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -15.167 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -14.766 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: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -140.624574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.624574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.624574 (E_RNA) where: Base-Base interactions energy: -85.027 where: short stacking energy: -43.615 Base-Backbone interact. energy: -0.243 local terms energy: -55.354440 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -10.904 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -9.031 tors. eta vs tors. theta energy: -9.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -107.488172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.488172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.488172 (E_RNA) where: Base-Base interactions energy: -49.154 where: short stacking energy: -44.846 Base-Backbone interact. energy: -0.125 local terms energy: -58.209365 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -7.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -85.306511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.306511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.306511 (E_RNA) where: Base-Base interactions energy: -38.458 where: short stacking energy: -35.943 Base-Backbone interact. energy: -0.051 local terms energy: -46.797996 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -83.682386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.682386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.682386 (E_RNA) where: Base-Base interactions energy: -51.549 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.178 local terms energy: -31.955497 where: bonds (distance) C4'-P energy: -10.728 bonds (distance) P-C4' energy: -9.228 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: 2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -77.793071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.793071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.793071 (E_RNA) where: Base-Base interactions energy: -36.134 where: short stacking energy: -31.057 Base-Backbone interact. energy: -0.348 local terms energy: -41.311199 where: bonds (distance) C4'-P energy: -9.395 bonds (distance) P-C4' energy: -9.738 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -77.589669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.589669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.589669 (E_RNA) where: Base-Base interactions energy: -29.494 where: short stacking energy: -29.494 Base-Backbone interact. energy: -0.085 local terms energy: -48.010560 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -10.814 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -5.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -155.930992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.930992 (E_RNA) where: Base-Base interactions energy: -92.299 where: short stacking energy: -60.548 Base-Backbone interact. energy: -0.000 local terms energy: -63.631846 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -14.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -148.375578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.375578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.375578 (E_RNA) where: Base-Base interactions energy: -96.603 where: short stacking energy: -63.168 Base-Backbone interact. energy: -0.827 local terms energy: -50.945381 where: bonds (distance) C4'-P energy: -10.273 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -14.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -144.203188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.203188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.203188 (E_RNA) where: Base-Base interactions energy: -88.652 where: short stacking energy: -54.451 Base-Backbone interact. energy: -0.028 local terms energy: -55.523123 where: bonds (distance) C4'-P energy: -12.098 bonds (distance) P-C4' energy: -11.927 flat angles C4'-P-C4' energy: -11.359 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -13.579 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: 4, replica: 6 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -138.894312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.894312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.894312 (E_RNA) where: Base-Base interactions energy: -82.150 where: short stacking energy: -59.165 Base-Backbone interact. energy: -0.404 local terms energy: -56.340227 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -10.421 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -7.006 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: 5, replica: 10 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -130.153522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.153522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.153522 (E_RNA) where: Base-Base interactions energy: -77.460 where: short stacking energy: -46.783 Base-Backbone interact. energy: -0.654 local terms energy: -52.039620 where: bonds (distance) C4'-P energy: -12.960 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -11.250 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -8.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -91.719659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.719659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.719659 (E_RNA) where: Base-Base interactions energy: -41.488 where: short stacking energy: -41.488 Base-Backbone interact. energy: -0.003 local terms energy: -50.228952 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -9.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -102.263084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.263084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.263084 (E_RNA) where: Base-Base interactions energy: -48.848 where: short stacking energy: -38.816 Base-Backbone interact. energy: -0.193 local terms energy: -53.221792 where: bonds (distance) C4'-P energy: -8.430 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -8.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -88.113856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.113856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.113856 (E_RNA) where: Base-Base interactions energy: -39.835 where: short stacking energy: -25.914 Base-Backbone interact. energy: -0.119 local terms energy: -48.159552 where: bonds (distance) C4'-P energy: -7.772 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -77.371240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.371240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.371240 (E_RNA) where: Base-Base interactions energy: -40.283 where: short stacking energy: -33.978 Base-Backbone interact. energy: -0.122 local terms energy: -36.966182 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -5.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -82.211947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.211947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.211947 (E_RNA) where: Base-Base interactions energy: -39.688 where: short stacking energy: -27.614 Base-Backbone interact. energy: 0.973 local terms energy: -43.496446 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: 1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -164.617389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.617389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.617389 (E_RNA) where: Base-Base interactions energy: -105.201 where: short stacking energy: -62.980 Base-Backbone interact. energy: -0.041 local terms energy: -59.375235 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -11.812 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -16.041 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: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -152.922664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.922664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.922664 (E_RNA) where: Base-Base interactions energy: -89.373 where: short stacking energy: -60.984 Base-Backbone interact. energy: -0.002 local terms energy: -63.547774 where: bonds (distance) C4'-P energy: -14.719 bonds (distance) P-C4' energy: -10.106 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -15.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -154.782838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.782838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.782838 (E_RNA) where: Base-Base interactions energy: -94.518 where: short stacking energy: -58.263 Base-Backbone interact. energy: 0.173 local terms energy: -60.437725 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -8.938 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: 4, replica: 6 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -123.973311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.973311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.973311 (E_RNA) where: Base-Base interactions energy: -73.305 where: short stacking energy: -43.539 Base-Backbone interact. energy: -0.078 local terms energy: -50.590232 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -1.068 tors. eta vs tors. theta energy: -8.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -96.457889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.457889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.457889 (E_RNA) where: Base-Base interactions energy: -41.007 where: short stacking energy: -39.243 Base-Backbone interact. energy: -0.178 local terms energy: -55.272369 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -7.949 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: 458 Temperature: 1.150000 Total energy: -135.872704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.872704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.872704 (E_RNA) where: Base-Base interactions energy: -78.418 where: short stacking energy: -41.893 Base-Backbone interact. energy: -0.142 local terms energy: -57.312376 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -12.105 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -81.693765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.693765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.693765 (E_RNA) where: Base-Base interactions energy: -33.887 where: short stacking energy: -33.887 Base-Backbone interact. energy: -0.021 local terms energy: -47.786202 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -7.299 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -88.004918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.004918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.004918 (E_RNA) where: Base-Base interactions energy: -37.145 where: short stacking energy: -35.165 Base-Backbone interact. energy: 0.366 local terms energy: -51.226280 where: bonds (distance) C4'-P energy: -14.570 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -6.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -71.920597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.920597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.920597 (E_RNA) where: Base-Base interactions energy: -26.873 where: short stacking energy: -26.873 Base-Backbone interact. energy: -0.141 local terms energy: -44.906006 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -11.577 flat angles P-C4'-P energy: -7.076 tors. eta vs tors. theta energy: -1.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -66.140903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.140903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.140903 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -17.345 Base-Backbone interact. energy: -0.021 local terms energy: -42.098501 where: bonds (distance) C4'-P energy: -12.032 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -8.339 tors. eta vs tors. theta energy: 1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -152.789701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.789701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.789701 (E_RNA) where: Base-Base interactions energy: -92.474 where: short stacking energy: -59.740 Base-Backbone interact. energy: 0.233 local terms energy: -60.548824 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -11.630 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: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -158.713965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.713965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.713965 (E_RNA) where: Base-Base interactions energy: -97.840 where: short stacking energy: -65.957 Base-Backbone interact. energy: -0.001 local terms energy: -60.873208 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -14.985 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -8.454 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: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -132.211195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.211195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.211195 (E_RNA) where: Base-Base interactions energy: -73.909 where: short stacking energy: -40.829 Base-Backbone interact. energy: -0.015 local terms energy: -58.287242 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -12.920 flat angles P-C4'-P energy: -11.202 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -128.726588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.726588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.726588 (E_RNA) where: Base-Base interactions energy: -71.868 where: short stacking energy: -46.550 Base-Backbone interact. energy: -0.087 local terms energy: -56.771522 where: bonds (distance) C4'-P energy: -10.257 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -12.907 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -8.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -99.714490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.714490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.714490 (E_RNA) where: Base-Base interactions energy: -54.329 where: short stacking energy: -48.396 Base-Backbone interact. energy: -0.072 local terms energy: -45.313790 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -11.428 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -0.363 tors. eta vs tors. theta energy: -9.864 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: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -129.943100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.943100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.943100 (E_RNA) where: Base-Base interactions energy: -73.757 where: short stacking energy: -46.057 Base-Backbone interact. energy: -0.008 local terms energy: -56.178695 where: bonds (distance) C4'-P energy: -11.573 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -8.605 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: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -93.844302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.844302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.844302 (E_RNA) where: Base-Base interactions energy: -43.045 where: short stacking energy: -43.045 Base-Backbone interact. energy: -0.168 local terms energy: -50.631296 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -11.380 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -7.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -96.386452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.386452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.386452 (E_RNA) where: Base-Base interactions energy: -42.897 where: short stacking energy: -42.897 Base-Backbone interact. energy: -0.048 local terms energy: -53.441365 where: bonds (distance) C4'-P energy: -12.318 bonds (distance) P-C4' energy: -9.942 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -6.373 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: 9, replica: 1 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -86.842012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.842012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.842012 (E_RNA) where: Base-Base interactions energy: -38.838 where: short stacking energy: -34.153 Base-Backbone interact. energy: -0.114 local terms energy: -47.890323 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -76.904605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.904605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.904605 (E_RNA) where: Base-Base interactions energy: -28.041 where: short stacking energy: -25.909 Base-Backbone interact. energy: -0.332 local terms energy: -48.531073 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -9.059 flat angles P-C4'-P energy: -5.996 tors. eta vs tors. theta energy: -5.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -157.553142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.553142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.553142 (E_RNA) where: Base-Base interactions energy: -90.991 where: short stacking energy: -53.231 Base-Backbone interact. energy: -1.342 local terms energy: -65.220278 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -7.012 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: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -138.132641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.132641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.132641 (E_RNA) where: Base-Base interactions energy: -80.657 where: short stacking energy: -56.810 Base-Backbone interact. energy: -0.170 local terms energy: -57.306389 where: bonds (distance) C4'-P energy: -14.471 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -8.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -140.211467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.211467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.211467 (E_RNA) where: Base-Base interactions energy: -80.051 where: short stacking energy: -50.920 Base-Backbone interact. energy: -0.028 local terms energy: -60.132479 where: bonds (distance) C4'-P energy: -13.084 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -12.842 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: 4, replica: 6 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -139.425630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.425630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.425630 (E_RNA) where: Base-Base interactions energy: -80.015 where: short stacking energy: -50.187 Base-Backbone interact. energy: -0.023 local terms energy: -59.387763 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -11.126 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: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -130.028434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.028434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.028434 (E_RNA) where: Base-Base interactions energy: -82.648 where: short stacking energy: -47.889 Base-Backbone interact. energy: 0.114 local terms energy: -47.493616 where: bonds (distance) C4'-P energy: -7.900 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -6.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -85.789065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.789065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.789065 (E_RNA) where: Base-Base interactions energy: -35.508 where: short stacking energy: -34.601 Base-Backbone interact. energy: -0.006 local terms energy: -50.275134 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -6.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -87.863892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.863892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.863892 (E_RNA) where: Base-Base interactions energy: -34.882 where: short stacking energy: -34.755 Base-Backbone interact. energy: -0.403 local terms energy: -52.578158 where: bonds (distance) C4'-P energy: -14.964 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -87.514091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.514091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.514091 (E_RNA) where: Base-Base interactions energy: -51.201 where: short stacking energy: -31.523 Base-Backbone interact. energy: -0.152 local terms energy: -36.161121 where: bonds (distance) C4'-P energy: -4.929 bonds (distance) P-C4' energy: -9.933 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -4.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -82.117196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.117196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.117196 (E_RNA) where: Base-Base interactions energy: -31.380 where: short stacking energy: -31.380 Base-Backbone interact. energy: 1.218 local terms energy: -51.954992 where: bonds (distance) C4'-P energy: -13.528 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -11.020 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -5.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -70.415167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.415167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.415167 (E_RNA) where: Base-Base interactions energy: -29.899 where: short stacking energy: -16.021 Base-Backbone interact. energy: 0.374 local terms energy: -40.890847 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -9.787 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: 1.201 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: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -152.050859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.050859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.050859 (E_RNA) where: Base-Base interactions energy: -94.141 where: short stacking energy: -61.634 Base-Backbone interact. energy: -0.000 local terms energy: -57.910092 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -15.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -138.329253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.329253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.329253 (E_RNA) where: Base-Base interactions energy: -80.537 where: short stacking energy: -56.975 Base-Backbone interact. energy: -0.325 local terms energy: -57.467070 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -12.729 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -9.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -147.648171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.648171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.648171 (E_RNA) where: Base-Base interactions energy: -88.393 where: short stacking energy: -54.340 Base-Backbone interact. energy: -0.462 local terms energy: -58.793514 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -12.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -144.752646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.752646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.752646 (E_RNA) where: Base-Base interactions energy: -84.369 where: short stacking energy: -53.497 Base-Backbone interact. energy: 0.024 local terms energy: -60.407391 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -14.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -105.803862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.803862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.803862 (E_RNA) where: Base-Base interactions energy: -52.334 where: short stacking energy: -51.852 Base-Backbone interact. energy: -0.631 local terms energy: -52.838493 where: bonds (distance) C4'-P energy: -15.204 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -8.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -88.509173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.509173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.509173 (E_RNA) where: Base-Base interactions energy: -45.289 where: short stacking energy: -42.506 Base-Backbone interact. energy: -0.109 local terms energy: -43.110831 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -8.328 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -4.793 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: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -89.166153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.166153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.166153 (E_RNA) where: Base-Base interactions energy: -42.101 where: short stacking energy: -28.157 Base-Backbone interact. energy: -0.076 local terms energy: -46.989292 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -12.202 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -82.248486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.248486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.248486 (E_RNA) where: Base-Base interactions energy: -32.262 where: short stacking energy: -27.559 Base-Backbone interact. energy: -0.032 local terms energy: -49.954003 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -82.862921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.862921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.862921 (E_RNA) where: Base-Base interactions energy: -40.979 where: short stacking energy: -22.655 Base-Backbone interact. energy: -0.673 local terms energy: -41.211671 where: bonds (distance) C4'-P energy: -9.110 bonds (distance) P-C4' energy: -10.997 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -71.895304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.895304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.895304 (E_RNA) where: Base-Base interactions energy: -27.157 where: short stacking energy: -21.578 Base-Backbone interact. energy: 0.514 local terms energy: -45.251806 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -1.143 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: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -147.893515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.893515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.893515 (E_RNA) where: Base-Base interactions energy: -86.951 where: short stacking energy: -49.638 Base-Backbone interact. energy: -0.088 local terms energy: -60.855093 where: bonds (distance) C4'-P energy: -14.699 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.631 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -11.655 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: 4 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -143.911843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.911843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.911843 (E_RNA) where: Base-Base interactions energy: -86.792 where: short stacking energy: -59.254 Base-Backbone interact. energy: -0.000 local terms energy: -57.119466 where: bonds (distance) C4'-P energy: -10.956 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -12.815 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: 6 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -135.457079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.457079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.457079 (E_RNA) where: Base-Base interactions energy: -82.256 where: short stacking energy: -53.403 Base-Backbone interact. energy: -1.315 local terms energy: -51.886858 where: bonds (distance) C4'-P energy: -10.699 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -9.458 flat angles P-C4'-P energy: -7.734 tors. eta vs tors. theta energy: -10.580 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: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -144.147134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.147134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.147134 (E_RNA) where: Base-Base interactions energy: -85.971 where: short stacking energy: -47.098 Base-Backbone interact. energy: -1.641 local terms energy: -56.535066 where: bonds (distance) C4'-P energy: -14.342 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -11.215 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -6.818 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: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -91.010064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.010064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.010064 (E_RNA) where: Base-Base interactions energy: -41.013 where: short stacking energy: -41.013 Base-Backbone interact. energy: -0.104 local terms energy: -49.893254 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -6.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -90.747763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.747763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.747763 (E_RNA) where: Base-Base interactions energy: -39.508 where: short stacking energy: -39.202 Base-Backbone interact. energy: -0.465 local terms energy: -50.774869 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -15.059 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -90.061753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.061753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.061753 (E_RNA) where: Base-Base interactions energy: -41.731 where: short stacking energy: -41.731 Base-Backbone interact. energy: -0.087 local terms energy: -48.243848 where: bonds (distance) C4'-P energy: -7.181 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -9.817 tors. eta vs tors. theta energy: -6.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -82.465321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.465321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.465321 (E_RNA) where: Base-Base interactions energy: -36.274 where: short stacking energy: -36.274 Base-Backbone interact. energy: 0.235 local terms energy: -46.425834 where: bonds (distance) C4'-P energy: -8.332 bonds (distance) P-C4' energy: -9.697 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -7.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -84.586734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.586734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.586734 (E_RNA) where: Base-Base interactions energy: -38.174 where: short stacking energy: -37.052 Base-Backbone interact. energy: -0.163 local terms energy: -46.250104 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -2.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -73.794034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.794034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.794034 (E_RNA) where: Base-Base interactions energy: -31.856 where: short stacking energy: -25.452 Base-Backbone interact. energy: -0.307 local terms energy: -41.630850 where: bonds (distance) C4'-P energy: -8.795 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -7.045 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -142.742040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.742040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.742040 (E_RNA) where: Base-Base interactions energy: -83.518 where: short stacking energy: -54.971 Base-Backbone interact. energy: -0.034 local terms energy: -59.189497 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -10.866 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: 463 Temperature: 0.950000 Total energy: -150.022249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.022249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.022249 (E_RNA) where: Base-Base interactions energy: -85.935 where: short stacking energy: -52.222 Base-Backbone interact. energy: -0.405 local terms energy: -63.682330 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -11.426 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: 6 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -130.635981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.635981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.635981 (E_RNA) where: Base-Base interactions energy: -72.617 where: short stacking energy: -38.317 Base-Backbone interact. energy: -0.085 local terms energy: -57.934170 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -7.309 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: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -131.670219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.670219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.670219 (E_RNA) where: Base-Base interactions energy: -74.318 where: short stacking energy: -44.839 Base-Backbone interact. energy: -0.051 local terms energy: -57.300935 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -104.770767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.770767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.770767 (E_RNA) where: Base-Base interactions energy: -49.772 where: short stacking energy: -49.772 Base-Backbone interact. energy: -0.072 local terms energy: -54.926343 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -10.021 flat angles P-C4'-P energy: -8.984 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: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -95.401863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.401863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.401863 (E_RNA) where: Base-Base interactions energy: -38.630 where: short stacking energy: -35.395 Base-Backbone interact. energy: -0.187 local terms energy: -56.584749 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -11.047 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -7.159 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: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -85.523857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.523857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.523857 (E_RNA) where: Base-Base interactions energy: -36.751 where: short stacking energy: -35.671 Base-Backbone interact. energy: -0.118 local terms energy: -48.655001 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -9.240 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -75.155325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.155325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.155325 (E_RNA) where: Base-Base interactions energy: -33.225 where: short stacking energy: -33.225 Base-Backbone interact. energy: 0.323 local terms energy: -42.253769 where: bonds (distance) C4'-P energy: -9.404 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -72.866328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.866328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.866328 (E_RNA) where: Base-Base interactions energy: -25.762 where: short stacking energy: -25.762 Base-Backbone interact. energy: -0.016 local terms energy: -47.088044 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -73.228135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.228135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.228135 (E_RNA) where: Base-Base interactions energy: -29.855 where: short stacking energy: -29.855 Base-Backbone interact. energy: -0.124 local terms energy: -43.248780 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -2.093 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: 464 Temperature: 0.900000 Total energy: -148.913109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.913109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.913109 (E_RNA) where: Base-Base interactions energy: -85.740 where: short stacking energy: -58.836 Base-Backbone interact. energy: -0.059 local terms energy: -63.114920 where: bonds (distance) C4'-P energy: -10.624 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -13.675 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: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -153.027288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.027288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.027288 (E_RNA) where: Base-Base interactions energy: -91.292 where: short stacking energy: -51.490 Base-Backbone interact. energy: 0.399 local terms energy: -62.133477 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -12.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -143.917919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.917919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.917919 (E_RNA) where: Base-Base interactions energy: -83.094 where: short stacking energy: -54.075 Base-Backbone interact. energy: -0.001 local terms energy: -60.822782 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -8.020 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: 4, replica: 6 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -134.190311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.190311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.190311 (E_RNA) where: Base-Base interactions energy: -76.134 where: short stacking energy: -50.024 Base-Backbone interact. energy: -0.078 local terms energy: -57.978222 where: bonds (distance) C4'-P energy: -11.779 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -8.968 tors. eta vs tors. theta energy: -11.983 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: 10 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -104.246282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.246282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.246282 (E_RNA) where: Base-Base interactions energy: -50.125 where: short stacking energy: -35.917 Base-Backbone interact. energy: -0.079 local terms energy: -54.042262 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -93.884484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.884484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.884484 (E_RNA) where: Base-Base interactions energy: -35.516 where: short stacking energy: -35.516 Base-Backbone interact. energy: -0.030 local terms energy: -58.338773 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -10.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -84.898008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.898008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.898008 (E_RNA) where: Base-Base interactions energy: -34.277 where: short stacking energy: -26.241 Base-Backbone interact. energy: -0.067 local terms energy: -50.554090 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -74.154043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.154043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.154043 (E_RNA) where: Base-Base interactions energy: -35.914 where: short stacking energy: -21.540 Base-Backbone interact. energy: -1.150 local terms energy: -37.090417 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: 2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -78.353223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.353223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.353223 (E_RNA) where: Base-Base interactions energy: -30.505 where: short stacking energy: -27.933 Base-Backbone interact. energy: -0.317 local terms energy: -47.531242 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -7.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -82.955618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.955618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.955618 (E_RNA) where: Base-Base interactions energy: -32.034 where: short stacking energy: -32.034 Base-Backbone interact. energy: 0.813 local terms energy: -51.734212 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -150.654451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.654451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.654451 (E_RNA) where: Base-Base interactions energy: -90.762 where: short stacking energy: -57.628 Base-Backbone interact. energy: -0.267 local terms energy: -59.625688 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -8.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -145.617539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.617539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.617539 (E_RNA) where: Base-Base interactions energy: -87.925 where: short stacking energy: -55.042 Base-Backbone interact. energy: -0.088 local terms energy: -57.604538 where: bonds (distance) C4'-P energy: -13.523 bonds (distance) P-C4' energy: -13.066 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -11.014 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: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -139.337363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.337363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.337363 (E_RNA) where: Base-Base interactions energy: -77.594 where: short stacking energy: -42.211 Base-Backbone interact. energy: -0.350 local terms energy: -61.392698 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -7.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -149.255281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.255281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.255281 (E_RNA) where: Base-Base interactions energy: -89.985 where: short stacking energy: -56.591 Base-Backbone interact. energy: -0.003 local terms energy: -59.267900 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -12.809 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: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -98.478255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.478255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.478255 (E_RNA) where: Base-Base interactions energy: -45.614 where: short stacking energy: -45.614 Base-Backbone interact. energy: -0.001 local terms energy: -52.863203 where: bonds (distance) C4'-P energy: -8.733 bonds (distance) P-C4' energy: -14.076 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -8.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -93.058720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.058720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.058720 (E_RNA) where: Base-Base interactions energy: -43.018 where: short stacking energy: -33.991 Base-Backbone interact. energy: -0.260 local terms energy: -49.780695 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -10.334 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -6.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -80.432771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.432771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.432771 (E_RNA) where: Base-Base interactions energy: -32.904 where: short stacking energy: -32.904 Base-Backbone interact. energy: -0.121 local terms energy: -47.408204 where: bonds (distance) C4'-P energy: -10.525 bonds (distance) P-C4' energy: -9.250 flat angles C4'-P-C4' energy: -10.049 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -6.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -88.075439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.075439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.075439 (E_RNA) where: Base-Base interactions energy: -40.158 where: short stacking energy: -36.634 Base-Backbone interact. energy: -0.194 local terms energy: -47.723025 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -87.950616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.950616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.950616 (E_RNA) where: Base-Base interactions energy: -39.714 where: short stacking energy: -38.338 Base-Backbone interact. energy: -0.047 local terms energy: -48.189045 where: bonds (distance) C4'-P energy: -10.704 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -3.356 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: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -76.859926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.859926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.859926 (E_RNA) where: Base-Base interactions energy: -36.425 where: short stacking energy: -36.198 Base-Backbone interact. energy: -0.029 local terms energy: -40.406206 where: bonds (distance) C4'-P energy: -7.830 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -5.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -151.641638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.641638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.641638 (E_RNA) where: Base-Base interactions energy: -90.829 where: short stacking energy: -55.717 Base-Backbone interact. energy: -0.000 local terms energy: -60.812433 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -12.023 tors. eta vs tors. theta energy: -10.672 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: 2, replica: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -139.212319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.212319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.212319 (E_RNA) where: Base-Base interactions energy: -83.840 where: short stacking energy: -50.356 Base-Backbone interact. energy: -0.367 local terms energy: -55.005180 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -147.126195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.126195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.126195 (E_RNA) where: Base-Base interactions energy: -94.900 where: short stacking energy: -60.131 Base-Backbone interact. energy: 0.327 local terms energy: -52.553621 where: bonds (distance) C4'-P energy: -11.821 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -7.219 tors. eta vs tors. theta energy: -12.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -133.343429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.343429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.343429 (E_RNA) where: Base-Base interactions energy: -79.572 where: short stacking energy: -47.166 Base-Backbone interact. energy: -0.009 local terms energy: -53.761995 where: bonds (distance) C4'-P energy: -6.522 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: -10.511 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: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -90.277168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.277168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.277168 (E_RNA) where: Base-Base interactions energy: -37.257 where: short stacking energy: -33.352 Base-Backbone interact. energy: 0.176 local terms energy: -53.196654 where: bonds (distance) C4'-P energy: -13.208 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -7.008 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -93.812219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.812219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.812219 (E_RNA) where: Base-Base interactions energy: -40.886 where: short stacking energy: -34.947 Base-Backbone interact. energy: -0.043 local terms energy: -52.882557 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -11.857 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -5.744 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: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -90.191441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.191441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.191441 (E_RNA) where: Base-Base interactions energy: -36.384 where: short stacking energy: -36.082 Base-Backbone interact. energy: -0.509 local terms energy: -53.298245 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -92.656626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.656626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.656626 (E_RNA) where: Base-Base interactions energy: -40.986 where: short stacking energy: -40.986 Base-Backbone interact. energy: -0.023 local terms energy: -51.648073 where: bonds (distance) C4'-P energy: -5.184 bonds (distance) P-C4' energy: -8.608 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -13.588 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: 466 Temperature: 1.300000 Total energy: -76.697605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.697605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.697605 (E_RNA) where: Base-Base interactions energy: -43.137 where: short stacking energy: -17.503 Base-Backbone interact. energy: 0.658 local terms energy: -34.218457 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -9.225 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -7.991 tors. eta vs tors. theta energy: 0.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -76.395285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.395285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.395285 (E_RNA) where: Base-Base interactions energy: -40.112 where: short stacking energy: -36.661 Base-Backbone interact. energy: -0.081 local terms energy: -36.201896 where: bonds (distance) C4'-P energy: -11.639 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -145.028680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.028680 (E_RNA) where: Base-Base interactions energy: -88.613 where: short stacking energy: -53.427 Base-Backbone interact. energy: -0.144 local terms energy: -56.271204 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -10.897 flat angles P-C4'-P energy: -7.393 tors. eta vs tors. theta energy: -9.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -149.616247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.616247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.616247 (E_RNA) where: Base-Base interactions energy: -88.523 where: short stacking energy: -55.245 Base-Backbone interact. energy: -0.174 local terms energy: -60.918750 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -11.750 tors. eta vs tors. theta energy: -10.900 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: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -143.854904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.854904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.854904 (E_RNA) where: Base-Base interactions energy: -84.650 where: short stacking energy: -56.965 Base-Backbone interact. energy: -0.214 local terms energy: -58.990742 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -10.176 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: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -118.087625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.087625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.087625 (E_RNA) where: Base-Base interactions energy: -53.967 where: short stacking energy: -53.803 Base-Backbone interact. energy: -0.000 local terms energy: -64.120098 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -9.929 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: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -129.076436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.076436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.076436 (E_RNA) where: Base-Base interactions energy: -78.334 where: short stacking energy: -48.487 Base-Backbone interact. energy: -0.160 local terms energy: -50.582857 where: bonds (distance) C4'-P energy: -9.971 bonds (distance) P-C4' energy: -11.562 flat angles C4'-P-C4' energy: -10.723 flat angles P-C4'-P energy: -8.393 tors. eta vs tors. theta energy: -9.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -93.501923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.501923 (E_RNA) where: Base-Base interactions energy: -42.754 where: short stacking energy: -42.754 Base-Backbone interact. energy: -0.038 local terms energy: -50.710307 where: bonds (distance) C4'-P energy: -9.462 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -8.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -96.626955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.626955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.626955 (E_RNA) where: Base-Base interactions energy: -48.978 where: short stacking energy: -32.801 Base-Backbone interact. energy: -0.158 local terms energy: -47.490780 where: bonds (distance) C4'-P energy: -9.035 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -79.314616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.314616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.314616 (E_RNA) where: Base-Base interactions energy: -30.157 where: short stacking energy: -29.932 Base-Backbone interact. energy: -0.176 local terms energy: -48.982370 where: bonds (distance) C4'-P energy: -8.902 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -87.255027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.255027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.255027 (E_RNA) where: Base-Base interactions energy: -39.523 where: short stacking energy: -39.523 Base-Backbone interact. energy: -0.187 local terms energy: -47.544751 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -0.142 tors. eta vs tors. theta energy: -9.710 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: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -77.950531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.950531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.950531 (E_RNA) where: Base-Base interactions energy: -34.789 where: short stacking energy: -30.255 Base-Backbone interact. energy: 0.919 local terms energy: -44.081197 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -9.813 flat angles P-C4'-P energy: -10.161 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -149.593099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.593099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.593099 (E_RNA) where: Base-Base interactions energy: -91.119 where: short stacking energy: -57.997 Base-Backbone interact. energy: 0.217 local terms energy: -58.691034 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -162.227296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.227296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.227296 (E_RNA) where: Base-Base interactions energy: -98.119 where: short stacking energy: -66.256 Base-Backbone interact. energy: -0.001 local terms energy: -64.106935 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -16.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -144.088694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.088694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.088694 (E_RNA) where: Base-Base interactions energy: -81.602 where: short stacking energy: -51.799 Base-Backbone interact. energy: -0.576 local terms energy: -61.911197 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -12.970 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: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -119.749829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.749829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.749829 (E_RNA) where: Base-Base interactions energy: -60.970 where: short stacking energy: -55.496 Base-Backbone interact. energy: -0.066 local terms energy: -58.713156 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -11.610 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -12.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -123.954737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.954737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.954737 (E_RNA) where: Base-Base interactions energy: -80.319 where: short stacking energy: -43.991 Base-Backbone interact. energy: -0.553 local terms energy: -43.082057 where: bonds (distance) C4'-P energy: -11.023 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -89.863047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.863047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.863047 (E_RNA) where: Base-Base interactions energy: -39.510 where: short stacking energy: -39.510 Base-Backbone interact. energy: -0.090 local terms energy: -50.263342 where: bonds (distance) C4'-P energy: -11.188 bonds (distance) P-C4' energy: -10.515 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -8.380 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: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -84.695488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.695488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.695488 (E_RNA) where: Base-Base interactions energy: -37.807 where: short stacking energy: -28.253 Base-Backbone interact. energy: -0.669 local terms energy: -46.219744 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -93.180478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.180478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.180478 (E_RNA) where: Base-Base interactions energy: -48.526 where: short stacking energy: -37.915 Base-Backbone interact. energy: -0.002 local terms energy: -44.652527 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -8.450 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: -8.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -76.607370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.607370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.607370 (E_RNA) where: Base-Base interactions energy: -31.987 where: short stacking energy: -29.447 Base-Backbone interact. energy: 0.216 local terms energy: -44.836741 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -12.091 flat angles C4'-P-C4' energy: -9.392 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -78.480829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.480829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.480829 (E_RNA) where: Base-Base interactions energy: -37.424 where: short stacking energy: -26.360 Base-Backbone interact. energy: -0.193 local terms energy: -40.863990 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -11.611 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -5.629 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: 469 Temperature: 0.900000 Total energy: -159.271173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.271173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.271173 (E_RNA) where: Base-Base interactions energy: -93.755 where: short stacking energy: -56.713 Base-Backbone interact. energy: -0.253 local terms energy: -65.263294 where: bonds (distance) C4'-P energy: -14.823 bonds (distance) P-C4' energy: -13.772 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -14.805 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: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -147.484935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.484935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.484935 (E_RNA) where: Base-Base interactions energy: -90.745 where: short stacking energy: -54.623 Base-Backbone interact. energy: -0.250 local terms energy: -56.489568 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -11.172 flat angles P-C4'-P energy: -5.866 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: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -146.451140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.451140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.451140 (E_RNA) where: Base-Base interactions energy: -85.291 where: short stacking energy: -53.453 Base-Backbone interact. energy: -0.004 local terms energy: -61.156280 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -12.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -136.331294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.331294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.331294 (E_RNA) where: Base-Base interactions energy: -86.487 where: short stacking energy: -48.901 Base-Backbone interact. energy: -0.055 local terms energy: -49.789821 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -13.142 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -0.793 tors. eta vs tors. theta energy: -10.293 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: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -99.157814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.157814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.157814 (E_RNA) where: Base-Base interactions energy: -53.948 where: short stacking energy: -47.918 Base-Backbone interact. energy: 0.000 local terms energy: -45.209787 where: bonds (distance) C4'-P energy: -8.501 bonds (distance) P-C4' energy: -9.483 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -96.746528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.746528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.746528 (E_RNA) where: Base-Base interactions energy: -53.070 where: short stacking energy: -32.513 Base-Backbone interact. energy: -0.326 local terms energy: -43.350872 where: bonds (distance) C4'-P energy: -10.182 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -11.078 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -97.573323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.573323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.573323 (E_RNA) where: Base-Base interactions energy: -35.813 where: short stacking energy: -35.813 Base-Backbone interact. energy: -0.100 local terms energy: -61.660847 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -10.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -79.915700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.915700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.915700 (E_RNA) where: Base-Base interactions energy: -32.869 where: short stacking energy: -32.777 Base-Backbone interact. energy: -0.001 local terms energy: -47.045562 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -11.199 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -80.780079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.780079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.780079 (E_RNA) where: Base-Base interactions energy: -39.656 where: short stacking energy: -25.736 Base-Backbone interact. energy: 0.131 local terms energy: -41.254762 where: bonds (distance) C4'-P energy: -12.285 bonds (distance) P-C4' energy: -12.203 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -69.842967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.842967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.842967 (E_RNA) where: Base-Base interactions energy: -32.824 where: short stacking energy: -32.457 Base-Backbone interact. energy: -0.064 local terms energy: -36.955436 where: bonds (distance) C4'-P energy: -9.643 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -160.517717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.517717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.517717 (E_RNA) where: Base-Base interactions energy: -92.126 where: short stacking energy: -61.588 Base-Backbone interact. energy: -0.294 local terms energy: -68.098054 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -12.234 tors. eta vs tors. theta energy: -13.625 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: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -165.161979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.161979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.161979 (E_RNA) where: Base-Base interactions energy: -100.609 where: short stacking energy: -65.168 Base-Backbone interact. energy: -0.345 local terms energy: -64.208759 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -11.304 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: 3, replica: 7 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -143.101847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.101847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.101847 (E_RNA) where: Base-Base interactions energy: -82.938 where: short stacking energy: -47.226 Base-Backbone interact. energy: -0.007 local terms energy: -60.156216 where: bonds (distance) C4'-P energy: -13.171 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -9.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -133.112218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.112218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.112218 (E_RNA) where: Base-Base interactions energy: -80.157 where: short stacking energy: -53.535 Base-Backbone interact. energy: -0.076 local terms energy: -52.879225 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -10.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -105.923363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.923363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.923363 (E_RNA) where: Base-Base interactions energy: -49.789 where: short stacking energy: -49.789 Base-Backbone interact. energy: -0.027 local terms energy: -56.107349 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -8.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -97.452787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.452787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.452787 (E_RNA) where: Base-Base interactions energy: -45.915 where: short stacking energy: -41.690 Base-Backbone interact. energy: -0.000 local terms energy: -51.537218 where: bonds (distance) C4'-P energy: -13.266 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -9.374 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -7.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -97.732025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.732025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.732025 (E_RNA) where: Base-Base interactions energy: -42.663 where: short stacking energy: -42.663 Base-Backbone interact. energy: -0.015 local terms energy: -55.053353 where: bonds (distance) C4'-P energy: -10.372 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -9.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -84.044546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.044546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.044546 (E_RNA) where: Base-Base interactions energy: -39.373 where: short stacking energy: -39.373 Base-Backbone interact. energy: -0.164 local terms energy: -44.507159 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -7.700 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -87.024914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.024914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.024914 (E_RNA) where: Base-Base interactions energy: -43.587 where: short stacking energy: -39.234 Base-Backbone interact. energy: -0.028 local terms energy: -43.409304 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -70.608380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.608380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.608380 (E_RNA) where: Base-Base interactions energy: -29.964 where: short stacking energy: -27.108 Base-Backbone interact. energy: -0.050 local terms energy: -40.594384 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -161.495998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.495998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.495998 (E_RNA) where: Base-Base interactions energy: -96.314 where: short stacking energy: -66.850 Base-Backbone interact. energy: -0.002 local terms energy: -65.180664 where: bonds (distance) C4'-P energy: -14.624 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -4.145 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: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -143.085111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.085111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.085111 (E_RNA) where: Base-Base interactions energy: -80.266 where: short stacking energy: -54.232 Base-Backbone interact. energy: -0.787 local terms energy: -62.031599 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -12.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -137.861980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.861980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.861980 (E_RNA) where: Base-Base interactions energy: -77.331 where: short stacking energy: -51.641 Base-Backbone interact. energy: -0.135 local terms energy: -60.396310 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -129.738461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.738461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.738461 (E_RNA) where: Base-Base interactions energy: -76.760 where: short stacking energy: -45.058 Base-Backbone interact. energy: -0.011 local terms energy: -52.967489 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -12.248 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -9.586 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: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -99.113881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.113881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.113881 (E_RNA) where: Base-Base interactions energy: -50.548 where: short stacking energy: -48.837 Base-Backbone interact. energy: -0.113 local terms energy: -48.453028 where: bonds (distance) C4'-P energy: -7.442 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -8.653 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: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -84.941084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.941084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.941084 (E_RNA) where: Base-Base interactions energy: -43.811 where: short stacking energy: -39.488 Base-Backbone interact. energy: 0.348 local terms energy: -41.478512 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -10.459 flat angles C4'-P-C4' energy: -10.638 flat angles P-C4'-P energy: -3.220 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: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -74.131682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.131682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.131682 (E_RNA) where: Base-Base interactions energy: -36.247 where: short stacking energy: -34.439 Base-Backbone interact. energy: 0.361 local terms energy: -38.244808 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -9.695 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: 0.090 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: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -88.607288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.607288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.607288 (E_RNA) where: Base-Base interactions energy: -48.964 where: short stacking energy: -31.695 Base-Backbone interact. energy: -0.140 local terms energy: -39.502936 where: bonds (distance) C4'-P energy: -5.181 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -82.772503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.772503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.772503 (E_RNA) where: Base-Base interactions energy: -33.683 where: short stacking energy: -33.683 Base-Backbone interact. energy: -0.098 local terms energy: -48.991236 where: bonds (distance) C4'-P energy: -10.128 bonds (distance) P-C4' energy: -12.302 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -80.424569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.424569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.424569 (E_RNA) where: Base-Base interactions energy: -29.946 where: short stacking energy: -30.446 Base-Backbone interact. energy: -0.326 local terms energy: -50.151791 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -16.718 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -6.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -165.961546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.961546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.961546 (E_RNA) where: Base-Base interactions energy: -99.660 where: short stacking energy: -58.958 Base-Backbone interact. energy: -0.006 local terms energy: -66.295604 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -13.866 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: 472 Temperature: 0.950000 Total energy: -146.648327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.648327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.648327 (E_RNA) where: Base-Base interactions energy: -90.629 where: short stacking energy: -56.485 Base-Backbone interact. energy: -0.248 local terms energy: -55.771174 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -10.099 flat angles P-C4'-P energy: -7.507 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: 3, replica: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -149.547119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.547119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.547119 (E_RNA) where: Base-Base interactions energy: -90.194 where: short stacking energy: -55.391 Base-Backbone interact. energy: -0.026 local terms energy: -59.327136 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -9.229 tors. eta vs tors. theta energy: -11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -127.801637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.801637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.801637 (E_RNA) where: Base-Base interactions energy: -76.932 where: short stacking energy: -49.736 Base-Backbone interact. energy: -0.172 local terms energy: -50.697413 where: bonds (distance) C4'-P energy: -13.113 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -102.767950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.767950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.767950 (E_RNA) where: Base-Base interactions energy: -51.755 where: short stacking energy: -49.927 Base-Backbone interact. energy: -0.001 local terms energy: -51.012727 where: bonds (distance) C4'-P energy: -11.353 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -9.632 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -9.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -104.803658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.803658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.803658 (E_RNA) where: Base-Base interactions energy: -54.098 where: short stacking energy: -40.539 Base-Backbone interact. energy: -0.431 local terms energy: -50.275411 where: bonds (distance) C4'-P energy: -12.993 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -8.364 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -100.068544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.068544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.068544 (E_RNA) where: Base-Base interactions energy: -46.359 where: short stacking energy: -46.359 Base-Backbone interact. energy: -0.175 local terms energy: -53.534559 where: bonds (distance) C4'-P energy: -9.200 bonds (distance) P-C4' energy: -13.066 flat angles C4'-P-C4' energy: -14.233 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -83.888936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.888936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.888936 (E_RNA) where: Base-Base interactions energy: -43.157 where: short stacking energy: -43.157 Base-Backbone interact. energy: -0.198 local terms energy: -40.533441 where: bonds (distance) C4'-P energy: -9.827 bonds (distance) P-C4' energy: -9.096 flat angles C4'-P-C4' energy: -9.952 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -7.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -82.675824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.675824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.675824 (E_RNA) where: Base-Base interactions energy: -36.627 where: short stacking energy: -32.652 Base-Backbone interact. energy: -0.135 local terms energy: -45.914123 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -8.321 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -75.178197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.178197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.178197 (E_RNA) where: Base-Base interactions energy: -34.780 where: short stacking energy: -29.232 Base-Backbone interact. energy: -0.219 local terms energy: -40.180038 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -9.711 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -160.219412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.219412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.219412 (E_RNA) where: Base-Base interactions energy: -97.647 where: short stacking energy: -55.250 Base-Backbone interact. energy: -0.007 local terms energy: -62.564778 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -9.192 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: 2, replica: 7 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -140.050976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.050976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.050976 (E_RNA) where: Base-Base interactions energy: -74.482 where: short stacking energy: -49.104 Base-Backbone interact. energy: -0.102 local terms energy: -65.467157 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -11.257 tors. eta vs tors. theta energy: -11.815 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: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -135.826545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.826545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.826545 (E_RNA) where: Base-Base interactions energy: -78.555 where: short stacking energy: -47.574 Base-Backbone interact. energy: -0.100 local terms energy: -57.171178 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -14.789 flat angles P-C4'-P energy: -10.315 tors. eta vs tors. theta energy: -6.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -105.860825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.860825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.860825 (E_RNA) where: Base-Base interactions energy: -50.260 where: short stacking energy: -43.446 Base-Backbone interact. energy: -0.271 local terms energy: -55.330641 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -12.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -126.103305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.103305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.103305 (E_RNA) where: Base-Base interactions energy: -70.309 where: short stacking energy: -38.963 Base-Backbone interact. energy: -0.562 local terms energy: -55.232135 where: bonds (distance) C4'-P energy: -10.306 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -9.286 flat angles P-C4'-P energy: -11.184 tors. eta vs tors. theta energy: -10.783 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: 2 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -90.499037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.499037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.499037 (E_RNA) where: Base-Base interactions energy: -39.699 where: short stacking energy: -36.188 Base-Backbone interact. energy: 0.668 local terms energy: -51.467795 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -11.630 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -6.633 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: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -84.056686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.056686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.056686 (E_RNA) where: Base-Base interactions energy: -34.796 where: short stacking energy: -33.088 Base-Backbone interact. energy: -0.086 local terms energy: -49.174010 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -9.681 tors. eta vs tors. theta energy: -7.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -81.529378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.529378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.529378 (E_RNA) where: Base-Base interactions energy: -36.200 where: short stacking energy: -35.857 Base-Backbone interact. energy: 0.381 local terms energy: -45.710111 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -13.005 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -79.994529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.994529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.994529 (E_RNA) where: Base-Base interactions energy: -34.993 where: short stacking energy: -32.354 Base-Backbone interact. energy: -0.214 local terms energy: -44.787190 where: bonds (distance) C4'-P energy: -9.578 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -9.914 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -76.387371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.387371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.387371 (E_RNA) where: Base-Base interactions energy: -33.472 where: short stacking energy: -20.382 Base-Backbone interact. energy: -0.096 local terms energy: -42.819381 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -7.792 tors. eta vs tors. theta energy: 2.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -164.301626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.301626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.301626 (E_RNA) where: Base-Base interactions energy: -100.645 where: short stacking energy: -56.640 Base-Backbone interact. energy: -0.001 local terms energy: -63.655739 where: bonds (distance) C4'-P energy: -10.249 bonds (distance) P-C4' energy: -16.028 flat angles C4'-P-C4' energy: -13.285 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -13.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -149.978721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.978721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.978721 (E_RNA) where: Base-Base interactions energy: -92.631 where: short stacking energy: -53.239 Base-Backbone interact. energy: -0.624 local terms energy: -56.723044 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -12.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -141.998896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.998896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.998896 (E_RNA) where: Base-Base interactions energy: -80.012 where: short stacking energy: -57.128 Base-Backbone interact. energy: -0.082 local terms energy: -61.904924 where: bonds (distance) C4'-P energy: -9.122 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -13.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -109.175041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.175041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.175041 (E_RNA) where: Base-Base interactions energy: -61.415 where: short stacking energy: -47.880 Base-Backbone interact. energy: -0.717 local terms energy: -47.043084 where: bonds (distance) C4'-P energy: -8.576 bonds (distance) P-C4' energy: -9.444 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -6.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -131.454806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.454806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.454806 (E_RNA) where: Base-Base interactions energy: -71.843 where: short stacking energy: -40.733 Base-Backbone interact. energy: 0.115 local terms energy: -59.726910 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -11.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -113.531452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.531452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.531452 (E_RNA) where: Base-Base interactions energy: -50.354 where: short stacking energy: -50.354 Base-Backbone interact. energy: -0.270 local terms energy: -62.907857 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -11.164 tors. eta vs tors. theta energy: -13.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -85.562686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.562686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.562686 (E_RNA) where: Base-Base interactions energy: -44.573 where: short stacking energy: -32.417 Base-Backbone interact. energy: 0.576 local terms energy: -41.565822 where: bonds (distance) C4'-P energy: -12.276 bonds (distance) P-C4' energy: -7.844 flat angles C4'-P-C4' energy: -9.436 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -3.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -86.257823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.257823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.257823 (E_RNA) where: Base-Base interactions energy: -41.907 where: short stacking energy: -41.907 Base-Backbone interact. energy: -0.173 local terms energy: -44.177351 where: bonds (distance) C4'-P energy: -9.305 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -77.439325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.439325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.439325 (E_RNA) where: Base-Base interactions energy: -35.972 where: short stacking energy: -32.231 Base-Backbone interact. energy: -0.062 local terms energy: -41.405254 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -8.654 flat angles C4'-P-C4' energy: -9.364 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -5.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -67.079525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.079525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.079525 (E_RNA) where: Base-Base interactions energy: -27.168 where: short stacking energy: -27.168 Base-Backbone interact. energy: -0.001 local terms energy: -39.910472 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -157.264227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.264227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.264227 (E_RNA) where: Base-Base interactions energy: -95.265 where: short stacking energy: -56.918 Base-Backbone interact. energy: -0.836 local terms energy: -61.163892 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -8.411 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: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -144.986567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.986567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.986567 (E_RNA) where: Base-Base interactions energy: -88.798 where: short stacking energy: -52.130 Base-Backbone interact. energy: -0.054 local terms energy: -56.134421 where: bonds (distance) C4'-P energy: -11.602 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -13.466 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -10.352 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: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -141.289807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.289807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.289807 (E_RNA) where: Base-Base interactions energy: -76.589 where: short stacking energy: -61.768 Base-Backbone interact. energy: -0.008 local terms energy: -64.692757 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -14.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -122.638472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.638472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.638472 (E_RNA) where: Base-Base interactions energy: -73.859 where: short stacking energy: -45.872 Base-Backbone interact. energy: -0.969 local terms energy: -47.811103 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -7.802 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -95.755220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.755220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.755220 (E_RNA) where: Base-Base interactions energy: -42.640 where: short stacking energy: -36.751 Base-Backbone interact. energy: -0.065 local terms energy: -53.049608 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -15.178 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -85.254817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.254817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.254817 (E_RNA) where: Base-Base interactions energy: -40.873 where: short stacking energy: -40.873 Base-Backbone interact. energy: -0.096 local terms energy: -44.286560 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -9.308 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -0.719 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: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -98.802719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.802719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.802719 (E_RNA) where: Base-Base interactions energy: -45.562 where: short stacking energy: -43.237 Base-Backbone interact. energy: 0.480 local terms energy: -53.720479 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -9.050 flat angles C4'-P-C4' energy: -10.575 flat angles P-C4'-P energy: -11.421 tors. eta vs tors. theta energy: -10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -79.963637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.963637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.963637 (E_RNA) where: Base-Base interactions energy: -33.686 where: short stacking energy: -32.820 Base-Backbone interact. energy: -0.025 local terms energy: -46.252868 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -3.820 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -82.991140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.991140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.991140 (E_RNA) where: Base-Base interactions energy: -40.423 where: short stacking energy: -39.771 Base-Backbone interact. energy: -0.133 local terms energy: -42.435222 where: bonds (distance) C4'-P energy: -11.014 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -8.098 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -70.178257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.178257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.178257 (E_RNA) where: Base-Base interactions energy: -32.512 where: short stacking energy: -32.512 Base-Backbone interact. energy: -0.197 local terms energy: -37.468416 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -8.070 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -1.398 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -155.003037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.003037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.003037 (E_RNA) where: Base-Base interactions energy: -95.023 where: short stacking energy: -61.107 Base-Backbone interact. energy: -0.004 local terms energy: -59.976531 where: bonds (distance) C4'-P energy: -10.053 bonds (distance) P-C4' energy: -13.952 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -13.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -151.808858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.808858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.808858 (E_RNA) where: Base-Base interactions energy: -91.915 where: short stacking energy: -56.716 Base-Backbone interact. energy: -0.186 local terms energy: -59.707542 where: bonds (distance) C4'-P energy: -13.999 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -13.126 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -12.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -157.106895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.106895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.106895 (E_RNA) where: Base-Base interactions energy: -96.606 where: short stacking energy: -60.524 Base-Backbone interact. energy: -0.080 local terms energy: -60.421326 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -11.714 flat angles P-C4'-P energy: -9.725 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: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -137.429087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.429087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.429087 (E_RNA) where: Base-Base interactions energy: -82.901 where: short stacking energy: -55.130 Base-Backbone interact. energy: -0.054 local terms energy: -54.473909 where: bonds (distance) C4'-P energy: -9.684 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -2.573 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: 5, replica: 9 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -95.279054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.279054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.279054 (E_RNA) where: Base-Base interactions energy: -42.785 where: short stacking energy: -30.340 Base-Backbone interact. energy: -0.309 local terms energy: -52.185559 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -11.203 tors. eta vs tors. theta energy: -3.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -100.373260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.373260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.373260 (E_RNA) where: Base-Base interactions energy: -48.009 where: short stacking energy: -43.709 Base-Backbone interact. energy: -0.047 local terms energy: -52.317794 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -6.336 tors. eta vs tors. theta energy: -8.558 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: 7, replica: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -83.028907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.028907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.028907 (E_RNA) where: Base-Base interactions energy: -34.639 where: short stacking energy: -33.664 Base-Backbone interact. energy: -0.037 local terms energy: -48.352674 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: 1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -75.744137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.744137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.744137 (E_RNA) where: Base-Base interactions energy: -40.812 where: short stacking energy: -28.854 Base-Backbone interact. energy: -0.515 local terms energy: -34.416908 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: 1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -80.719014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.719014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.719014 (E_RNA) where: Base-Base interactions energy: -33.617 where: short stacking energy: -28.142 Base-Backbone interact. energy: 0.356 local terms energy: -47.458697 where: bonds (distance) C4'-P energy: -10.951 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -78.339696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.339696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.339696 (E_RNA) where: Base-Base interactions energy: -36.850 where: short stacking energy: -33.948 Base-Backbone interact. energy: 0.811 local terms energy: -42.301078 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -159.827540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.827540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.827540 (E_RNA) where: Base-Base interactions energy: -100.963 where: short stacking energy: -62.515 Base-Backbone interact. energy: -0.599 local terms energy: -58.265484 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -15.408 flat angles C4'-P-C4' energy: -10.295 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -11.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -155.837231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.837231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.837231 (E_RNA) where: Base-Base interactions energy: -97.992 where: short stacking energy: -54.546 Base-Backbone interact. energy: 0.272 local terms energy: -58.116943 where: bonds (distance) C4'-P energy: -7.355 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -7.710 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: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -161.645527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.645527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.645527 (E_RNA) where: Base-Base interactions energy: -105.829 where: short stacking energy: -65.131 Base-Backbone interact. energy: 4.376 local terms energy: -60.192261 where: bonds (distance) C4'-P energy: -11.564 bonds (distance) P-C4' energy: -9.481 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -14.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -136.298298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.298298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.298298 (E_RNA) where: Base-Base interactions energy: -81.896 where: short stacking energy: -46.861 Base-Backbone interact. energy: -0.082 local terms energy: -54.320737 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -9.811 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: 5, replica: 9 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -103.761444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.761444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.761444 (E_RNA) where: Base-Base interactions energy: -51.495 where: short stacking energy: -51.495 Base-Backbone interact. energy: -0.000 local terms energy: -52.265693 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -10.593 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -98.348422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.348422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.348422 (E_RNA) where: Base-Base interactions energy: -50.931 where: short stacking energy: -49.628 Base-Backbone interact. energy: 0.118 local terms energy: -47.534885 where: bonds (distance) C4'-P energy: -8.166 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -10.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -89.245104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.245104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.245104 (E_RNA) where: Base-Base interactions energy: -31.614 where: short stacking energy: -31.614 Base-Backbone interact. energy: -0.624 local terms energy: -57.006584 where: bonds (distance) C4'-P energy: -15.179 bonds (distance) P-C4' energy: -10.805 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -7.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -96.033314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.033314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.033314 (E_RNA) where: Base-Base interactions energy: -35.831 where: short stacking energy: -35.831 Base-Backbone interact. energy: -0.072 local terms energy: -60.130000 where: bonds (distance) C4'-P energy: -13.916 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -7.648 tors. eta vs tors. theta energy: -12.189 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: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -95.173150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.173150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.173150 (E_RNA) where: Base-Base interactions energy: -46.425 where: short stacking energy: -36.400 Base-Backbone interact. energy: 0.038 local terms energy: -48.785337 where: bonds (distance) C4'-P energy: -10.579 bonds (distance) P-C4' energy: -12.015 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -6.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -88.129763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.129763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.129763 (E_RNA) where: Base-Base interactions energy: -43.622 where: short stacking energy: -43.622 Base-Backbone interact. energy: -0.595 local terms energy: -43.912903 where: bonds (distance) C4'-P energy: -7.256 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -9.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -159.823258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.823258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.823258 (E_RNA) where: Base-Base interactions energy: -98.343 where: short stacking energy: -61.084 Base-Backbone interact. energy: -0.005 local terms energy: -61.475636 where: bonds (distance) C4'-P energy: -14.334 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -11.811 flat angles P-C4'-P energy: -6.150 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: 2, replica: 7 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -151.659003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.659003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.659003 (E_RNA) where: Base-Base interactions energy: -86.705 where: short stacking energy: -56.798 Base-Backbone interact. energy: -0.151 local terms energy: -64.803459 where: bonds (distance) C4'-P energy: -15.721 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -11.947 tors. eta vs tors. theta energy: -11.597 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: 478 Temperature: 1.000000 Total energy: -146.473936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.473936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.473936 (E_RNA) where: Base-Base interactions energy: -93.954 where: short stacking energy: -53.398 Base-Backbone interact. energy: -0.113 local terms energy: -52.406610 where: bonds (distance) C4'-P energy: -12.906 bonds (distance) P-C4' energy: -9.080 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: -12.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -132.830542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.830542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.830542 (E_RNA) where: Base-Base interactions energy: -79.733 where: short stacking energy: -52.276 Base-Backbone interact. energy: 0.044 local terms energy: -53.141594 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -8.459 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: 5, replica: 2 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -130.913888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.913888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.913888 (E_RNA) where: Base-Base interactions energy: -80.429 where: short stacking energy: -43.156 Base-Backbone interact. energy: -0.111 local terms energy: -50.374204 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -94.864622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.864622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.864622 (E_RNA) where: Base-Base interactions energy: -42.588 where: short stacking energy: -39.243 Base-Backbone interact. energy: 0.336 local terms energy: -52.611696 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -14.143 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -8.482 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: 7, replica: 8 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -118.358583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.358583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.358583 (E_RNA) where: Base-Base interactions energy: -64.246 where: short stacking energy: -34.957 Base-Backbone interact. energy: -0.506 local terms energy: -53.606315 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -80.402072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.402072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.402072 (E_RNA) where: Base-Base interactions energy: -38.547 where: short stacking energy: -35.086 Base-Backbone interact. energy: -0.262 local terms energy: -41.592410 where: bonds (distance) C4'-P energy: -9.764 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -4.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -72.501708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.501708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.501708 (E_RNA) where: Base-Base interactions energy: -33.630 where: short stacking energy: -27.696 Base-Backbone interact. energy: -0.025 local terms energy: -38.846690 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -9.730 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: 2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -76.285140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.285140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.285140 (E_RNA) where: Base-Base interactions energy: -37.560 where: short stacking energy: -31.739 Base-Backbone interact. energy: -1.155 local terms energy: -37.569591 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -7.818 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -157.747347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.747347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.747347 (E_RNA) where: Base-Base interactions energy: -94.722 where: short stacking energy: -59.212 Base-Backbone interact. energy: -0.000 local terms energy: -63.024689 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -10.694 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: 2, replica: 5 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -151.698340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.698340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.698340 (E_RNA) where: Base-Base interactions energy: -90.187 where: short stacking energy: -52.551 Base-Backbone interact. energy: -0.055 local terms energy: -61.456314 where: bonds (distance) C4'-P energy: -14.210 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -12.014 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: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -148.905035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.905035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.905035 (E_RNA) where: Base-Base interactions energy: -88.497 where: short stacking energy: -56.730 Base-Backbone interact. energy: -0.064 local terms energy: -60.344214 where: bonds (distance) C4'-P energy: -9.532 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -12.537 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: 4, replica: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -128.280615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.280615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.280615 (E_RNA) where: Base-Base interactions energy: -76.071 where: short stacking energy: -48.142 Base-Backbone interact. energy: -0.988 local terms energy: -51.222366 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -140.153337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.153337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.153337 (E_RNA) where: Base-Base interactions energy: -85.446 where: short stacking energy: -53.274 Base-Backbone interact. energy: -0.031 local terms energy: -54.676443 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -8.649 flat angles P-C4'-P energy: -8.946 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: 6, replica: 8 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -120.396516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.396516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.396516 (E_RNA) where: Base-Base interactions energy: -74.355 where: short stacking energy: -40.334 Base-Backbone interact. energy: -0.059 local terms energy: -45.982206 where: bonds (distance) C4'-P energy: -9.089 bonds (distance) P-C4' energy: -12.449 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -87.528646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.528646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.528646 (E_RNA) where: Base-Base interactions energy: -42.647 where: short stacking energy: -36.726 Base-Backbone interact. energy: -1.086 local terms energy: -43.795867 where: bonds (distance) C4'-P energy: -9.520 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -102.591036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.591036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.591036 (E_RNA) where: Base-Base interactions energy: -45.792 where: short stacking energy: -37.045 Base-Backbone interact. energy: -0.124 local terms energy: -56.674171 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -7.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -89.675330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.675330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.675330 (E_RNA) where: Base-Base interactions energy: -41.988 where: short stacking energy: -41.051 Base-Backbone interact. energy: -0.024 local terms energy: -47.663158 where: bonds (distance) C4'-P energy: -9.454 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -10.558 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -10.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -72.920618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.920618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.920618 (E_RNA) where: Base-Base interactions energy: -34.789 where: short stacking energy: -26.160 Base-Backbone interact. energy: -0.157 local terms energy: -37.974324 where: bonds (distance) C4'-P energy: -9.346 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -149.703149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.703149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.703149 (E_RNA) where: Base-Base interactions energy: -93.739 where: short stacking energy: -55.314 Base-Backbone interact. energy: -0.045 local terms energy: -55.918973 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -10.835 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: -10.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -152.065925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.065925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.065925 (E_RNA) where: Base-Base interactions energy: -87.390 where: short stacking energy: -62.399 Base-Backbone interact. energy: 0.276 local terms energy: -64.952111 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -17.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -147.917751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.917751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.917751 (E_RNA) where: Base-Base interactions energy: -93.096 where: short stacking energy: -54.901 Base-Backbone interact. energy: 0.287 local terms energy: -55.109261 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -140.112981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.112981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.112981 (E_RNA) where: Base-Base interactions energy: -83.375 where: short stacking energy: -53.935 Base-Backbone interact. energy: -0.024 local terms energy: -56.714217 where: bonds (distance) C4'-P energy: -14.504 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -134.800661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.800661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.800661 (E_RNA) where: Base-Base interactions energy: -83.178 where: short stacking energy: -50.849 Base-Backbone interact. energy: -0.242 local terms energy: -51.380594 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -10.603 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -9.958 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: 6, replica: 8 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -111.016347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.016347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.016347 (E_RNA) where: Base-Base interactions energy: -68.334 where: short stacking energy: -40.321 Base-Backbone interact. energy: -0.580 local terms energy: -42.102792 where: bonds (distance) C4'-P energy: -11.780 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -10.843 flat angles P-C4'-P energy: -9.977 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -92.323339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.323339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.323339 (E_RNA) where: Base-Base interactions energy: -41.211 where: short stacking energy: -41.211 Base-Backbone interact. energy: -0.020 local terms energy: -51.092330 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -85.795186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.795186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.795186 (E_RNA) where: Base-Base interactions energy: -42.888 where: short stacking energy: -31.024 Base-Backbone interact. energy: -0.120 local terms energy: -42.787236 where: bonds (distance) C4'-P energy: -11.105 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -2.242 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -73.345299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.345299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.345299 (E_RNA) where: Base-Base interactions energy: -28.405 where: short stacking energy: -28.405 Base-Backbone interact. energy: -0.239 local terms energy: -44.701259 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -11.365 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -7.017 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: 10, replica: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -77.006603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.006603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.006603 (E_RNA) where: Base-Base interactions energy: -32.276 where: short stacking energy: -27.194 Base-Backbone interact. energy: -0.095 local terms energy: -44.635770 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -1.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -161.205559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.205559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.205559 (E_RNA) where: Base-Base interactions energy: -99.805 where: short stacking energy: -61.477 Base-Backbone interact. energy: -0.024 local terms energy: -61.376135 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -160.284183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.284183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.284183 (E_RNA) where: Base-Base interactions energy: -99.154 where: short stacking energy: -61.348 Base-Backbone interact. energy: -0.002 local terms energy: -61.128718 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -10.039 tors. eta vs tors. theta energy: -13.699 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: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -149.756782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.756782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.756782 (E_RNA) where: Base-Base interactions energy: -84.487 where: short stacking energy: -53.072 Base-Backbone interact. energy: -0.004 local terms energy: -65.265060 where: bonds (distance) C4'-P energy: -14.528 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -8.768 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: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -138.283819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.283819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.283819 (E_RNA) where: Base-Base interactions energy: -77.143 where: short stacking energy: -50.295 Base-Backbone interact. energy: -0.002 local terms energy: -61.138702 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -7.792 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -121.307203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.307203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.307203 (E_RNA) where: Base-Base interactions energy: -70.029 where: short stacking energy: -37.028 Base-Backbone interact. energy: -0.117 local terms energy: -51.160896 where: bonds (distance) C4'-P energy: -14.851 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -6.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -109.061432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.061432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.061432 (E_RNA) where: Base-Base interactions energy: -51.062 where: short stacking energy: -51.062 Base-Backbone interact. energy: -0.000 local terms energy: -57.998871 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -12.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -109.613964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.613964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.613964 (E_RNA) where: Base-Base interactions energy: -62.995 where: short stacking energy: -35.780 Base-Backbone interact. energy: -0.141 local terms energy: -46.477909 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -10.739 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -89.384496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.384496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.384496 (E_RNA) where: Base-Base interactions energy: -43.467 where: short stacking energy: -34.498 Base-Backbone interact. energy: -0.362 local terms energy: -45.555500 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -10.789 flat angles C4'-P-C4' energy: -10.529 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: -2.788 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: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -92.314298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.314298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.314298 (E_RNA) where: Base-Base interactions energy: -37.547 where: short stacking energy: -31.288 Base-Backbone interact. energy: 0.075 local terms energy: -54.842884 where: bonds (distance) C4'-P energy: -8.142 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -11.306 tors. eta vs tors. theta energy: -9.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -76.070858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.070858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.070858 (E_RNA) where: Base-Base interactions energy: -34.010 where: short stacking energy: -26.698 Base-Backbone interact. energy: -0.238 local terms energy: -41.823004 where: bonds (distance) C4'-P energy: -9.479 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -3.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -157.841348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.841348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.841348 (E_RNA) where: Base-Base interactions energy: -98.209 where: short stacking energy: -60.744 Base-Backbone interact. energy: 0.127 local terms energy: -59.759394 where: bonds (distance) C4'-P energy: -11.349 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -12.121 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -13.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -142.760269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.760269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.760269 (E_RNA) where: Base-Base interactions energy: -84.049 where: short stacking energy: -53.834 Base-Backbone interact. energy: -0.023 local terms energy: -58.689158 where: bonds (distance) C4'-P energy: -8.119 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -8.557 tors. eta vs tors. theta energy: -11.500 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: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -141.135174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.135174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.135174 (E_RNA) where: Base-Base interactions energy: -85.596 where: short stacking energy: -47.535 Base-Backbone interact. energy: -0.467 local terms energy: -55.072357 where: bonds (distance) C4'-P energy: -9.015 bonds (distance) P-C4' energy: -15.577 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -8.347 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: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -135.892835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.892835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.892835 (E_RNA) where: Base-Base interactions energy: -78.272 where: short stacking energy: -44.361 Base-Backbone interact. energy: -0.182 local terms energy: -57.438941 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -12.720 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -10.185 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: 2 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -124.316548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.316548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.316548 (E_RNA) where: Base-Base interactions energy: -72.237 where: short stacking energy: -34.859 Base-Backbone interact. energy: -0.167 local terms energy: -51.911818 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -89.781372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.781372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.781372 (E_RNA) where: Base-Base interactions energy: -47.537 where: short stacking energy: -38.514 Base-Backbone interact. energy: -0.094 local terms energy: -42.149976 where: bonds (distance) C4'-P energy: -12.496 bonds (distance) P-C4' energy: -10.027 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -90.772549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.772549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.772549 (E_RNA) where: Base-Base interactions energy: -39.106 where: short stacking energy: -39.106 Base-Backbone interact. energy: -0.120 local terms energy: -51.546236 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -7.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -82.413500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.413500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.413500 (E_RNA) where: Base-Base interactions energy: -32.085 where: short stacking energy: -27.601 Base-Backbone interact. energy: -0.252 local terms energy: -50.076118 where: bonds (distance) C4'-P energy: -9.337 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -9.969 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -108.719599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.719599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.719599 (E_RNA) where: Base-Base interactions energy: -56.204 where: short stacking energy: -30.460 Base-Backbone interact. energy: -0.079 local terms energy: -52.436216 where: bonds (distance) C4'-P energy: -9.896 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -11.179 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -7.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -86.802459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.802459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.802459 (E_RNA) where: Base-Base interactions energy: -36.106 where: short stacking energy: -25.345 Base-Backbone interact. energy: -0.106 local terms energy: -50.590505 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -6.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -164.859186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.859186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.859186 (E_RNA) where: Base-Base interactions energy: -96.561 where: short stacking energy: -65.334 Base-Backbone interact. energy: -0.091 local terms energy: -68.208002 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -11.725 tors. eta vs tors. theta energy: -15.108 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: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -162.578200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.578200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.578200 (E_RNA) where: Base-Base interactions energy: -103.609 where: short stacking energy: -62.357 Base-Backbone interact. energy: -0.578 local terms energy: -58.391236 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -126.355502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.355502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.355502 (E_RNA) where: Base-Base interactions energy: -77.388 where: short stacking energy: -44.859 Base-Backbone interact. energy: -0.465 local terms energy: -48.502560 where: bonds (distance) C4'-P energy: -12.546 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -11.526 flat angles P-C4'-P energy: -10.548 tors. eta vs tors. theta energy: -2.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -139.668229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.668229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.668229 (E_RNA) where: Base-Base interactions energy: -81.933 where: short stacking energy: -48.441 Base-Backbone interact. energy: -0.463 local terms energy: -57.272738 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -10.564 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -9.572 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: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -138.200096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.200096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.200096 (E_RNA) where: Base-Base interactions energy: -81.676 where: short stacking energy: -50.224 Base-Backbone interact. energy: -0.009 local terms energy: -56.514978 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -9.759 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -11.373 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: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -101.059487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.059487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.059487 (E_RNA) where: Base-Base interactions energy: -59.342 where: short stacking energy: -43.831 Base-Backbone interact. energy: -0.622 local terms energy: -41.096240 where: bonds (distance) C4'-P energy: -8.359 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -8.231 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: 3 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -88.389880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.389880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.389880 (E_RNA) where: Base-Base interactions energy: -38.829 where: short stacking energy: -27.526 Base-Backbone interact. energy: -0.146 local terms energy: -49.414975 where: bonds (distance) C4'-P energy: -11.163 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -13.060 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -91.579852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.579852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.579852 (E_RNA) where: Base-Base interactions energy: -41.445 where: short stacking energy: -33.656 Base-Backbone interact. energy: -1.531 local terms energy: -48.603666 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -9.458 flat angles C4'-P-C4' energy: -9.692 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -7.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -85.569362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.569362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.569362 (E_RNA) where: Base-Base interactions energy: -38.956 where: short stacking energy: -31.324 Base-Backbone interact. energy: -0.187 local terms energy: -46.426353 where: bonds (distance) C4'-P energy: -12.745 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -80.331904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.331904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.331904 (E_RNA) where: Base-Base interactions energy: -39.327 where: short stacking energy: -31.407 Base-Backbone interact. energy: -0.758 local terms energy: -40.247547 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -10.903 flat angles C4'-P-C4' energy: -5.943 flat angles P-C4'-P energy: -8.472 tors. eta vs tors. theta energy: -7.786 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: 4 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -143.257808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.257808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.257808 (E_RNA) where: Base-Base interactions energy: -89.073 where: short stacking energy: -56.203 Base-Backbone interact. energy: 0.720 local terms energy: -54.905627 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -10.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -169.491521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.491521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.491521 (E_RNA) where: Base-Base interactions energy: -104.983 where: short stacking energy: -69.355 Base-Backbone interact. energy: -0.012 local terms energy: -64.497095 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -7.474 tors. eta vs tors. theta energy: -17.990 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: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -140.785316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.785316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.785316 (E_RNA) where: Base-Base interactions energy: -82.122 where: short stacking energy: -50.676 Base-Backbone interact. energy: -0.556 local terms energy: -58.107063 where: bonds (distance) C4'-P energy: -13.986 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -10.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -147.267348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.267348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.267348 (E_RNA) where: Base-Base interactions energy: -89.619 where: short stacking energy: -56.781 Base-Backbone interact. energy: -0.024 local terms energy: -57.624938 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -15.112 flat angles P-C4'-P energy: -7.311 tors. eta vs tors. theta energy: -9.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -134.459393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.459393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.459393 (E_RNA) where: Base-Base interactions energy: -81.103 where: short stacking energy: -47.338 Base-Backbone interact. energy: 0.085 local terms energy: -53.441251 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -12.024 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -7.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -107.709551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.709551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.709551 (E_RNA) where: Base-Base interactions energy: -49.722 where: short stacking energy: -44.262 Base-Backbone interact. energy: -0.081 local terms energy: -57.906054 where: bonds (distance) C4'-P energy: -13.933 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -12.161 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: 9 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -100.183921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.183921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.183921 (E_RNA) where: Base-Base interactions energy: -55.674 where: short stacking energy: -26.653 Base-Backbone interact. energy: -0.810 local terms energy: -43.700096 where: bonds (distance) C4'-P energy: -9.519 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -81.916636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.916636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.916636 (E_RNA) where: Base-Base interactions energy: -42.592 where: short stacking energy: -42.580 Base-Backbone interact. energy: -0.011 local terms energy: -39.314421 where: bonds (distance) C4'-P energy: -11.747 bonds (distance) P-C4' energy: -6.522 flat angles C4'-P-C4' energy: -10.289 flat angles P-C4'-P energy: -1.621 tors. eta vs tors. theta energy: -9.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -83.486381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.486381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.486381 (E_RNA) where: Base-Base interactions energy: -36.308 where: short stacking energy: -33.666 Base-Backbone interact. energy: -0.036 local terms energy: -47.142672 where: bonds (distance) C4'-P energy: -9.565 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -76.515569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.515569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.515569 (E_RNA) where: Base-Base interactions energy: -36.853 where: short stacking energy: -36.089 Base-Backbone interact. energy: -0.050 local terms energy: -39.612604 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -9.635 flat angles C4'-P-C4' energy: -9.676 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -157.281474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.281474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.281474 (E_RNA) where: Base-Base interactions energy: -96.322 where: short stacking energy: -59.966 Base-Backbone interact. energy: 1.083 local terms energy: -62.041995 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -13.109 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -13.780 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: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -130.522926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.522926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.522926 (E_RNA) where: Base-Base interactions energy: -66.899 where: short stacking energy: -49.709 Base-Backbone interact. energy: -0.557 local terms energy: -63.066599 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -165.343367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.343367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.343367 (E_RNA) where: Base-Base interactions energy: -98.687 where: short stacking energy: -62.655 Base-Backbone interact. energy: -0.000 local terms energy: -66.656010 where: bonds (distance) C4'-P energy: -14.975 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -8.380 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: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -134.737213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.737213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.737213 (E_RNA) where: Base-Base interactions energy: -78.832 where: short stacking energy: -47.866 Base-Backbone interact. energy: -0.209 local terms energy: -55.696207 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -11.772 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -7.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -143.305730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.305730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.305730 (E_RNA) where: Base-Base interactions energy: -83.058 where: short stacking energy: -45.934 Base-Backbone interact. energy: -0.605 local terms energy: -59.643234 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -15.756 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -9.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -98.955733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.955733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.955733 (E_RNA) where: Base-Base interactions energy: -48.938 where: short stacking energy: -30.821 Base-Backbone interact. energy: -0.385 local terms energy: -49.633109 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -84.837196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.837196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.837196 (E_RNA) where: Base-Base interactions energy: -34.208 where: short stacking energy: -32.642 Base-Backbone interact. energy: -0.045 local terms energy: -50.583713 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -6.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -83.661152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.661152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.661152 (E_RNA) where: Base-Base interactions energy: -43.912 where: short stacking energy: -20.822 Base-Backbone interact. energy: -0.233 local terms energy: -39.516040 where: bonds (distance) C4'-P energy: -15.295 bonds (distance) P-C4' energy: -9.951 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -1.342 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -72.747282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.747282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.747282 (E_RNA) where: Base-Base interactions energy: -34.028 where: short stacking energy: -22.487 Base-Backbone interact. energy: -0.592 local terms energy: -38.128081 where: bonds (distance) C4'-P energy: -9.632 bonds (distance) P-C4' energy: -10.213 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: 0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -88.701915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.701915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.701915 (E_RNA) where: Base-Base interactions energy: -49.089 where: short stacking energy: -41.481 Base-Backbone interact. energy: 0.173 local terms energy: -39.785542 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -6.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -155.512564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.512564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.512564 (E_RNA) where: Base-Base interactions energy: -95.457 where: short stacking energy: -55.493 Base-Backbone interact. energy: 0.429 local terms energy: -60.483763 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -10.297 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -13.664 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: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -149.128286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.128286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.128286 (E_RNA) where: Base-Base interactions energy: -86.915 where: short stacking energy: -66.334 Base-Backbone interact. energy: -0.920 local terms energy: -61.293217 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -11.956 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -13.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -135.707466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.707466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.707466 (E_RNA) where: Base-Base interactions energy: -81.482 where: short stacking energy: -38.707 Base-Backbone interact. energy: -0.019 local terms energy: -54.206884 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -8.605 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -151.433186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.433186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.433186 (E_RNA) where: Base-Base interactions energy: -89.546 where: short stacking energy: -56.280 Base-Backbone interact. energy: -0.101 local terms energy: -61.785751 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -13.415 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -12.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -130.056316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.056316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.056316 (E_RNA) where: Base-Base interactions energy: -74.623 where: short stacking energy: -39.962 Base-Backbone interact. energy: 1.592 local terms energy: -57.025352 where: bonds (distance) C4'-P energy: -10.363 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -15.329 flat angles P-C4'-P energy: -9.687 tors. eta vs tors. theta energy: -6.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -129.787268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.787268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.787268 (E_RNA) where: Base-Base interactions energy: -77.510 where: short stacking energy: -51.189 Base-Backbone interact. energy: -0.993 local terms energy: -51.283902 where: bonds (distance) C4'-P energy: -9.715 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -12.726 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -9.499 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: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -97.704372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.704372 (E_RNA) where: Base-Base interactions energy: -48.652 where: short stacking energy: -32.415 Base-Backbone interact. energy: -0.403 local terms energy: -48.649337 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -7.706 tors. eta vs tors. theta energy: -4.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -97.560422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.560422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.560422 (E_RNA) where: Base-Base interactions energy: -46.593 where: short stacking energy: -43.028 Base-Backbone interact. energy: -0.007 local terms energy: -50.960810 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -6.995 tors. eta vs tors. theta energy: -9.500 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: 1 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -85.043560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.043560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.043560 (E_RNA) where: Base-Base interactions energy: -39.122 where: short stacking energy: -35.242 Base-Backbone interact. energy: -0.081 local terms energy: -45.840435 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -15.249 flat angles C4'-P-C4' energy: -9.531 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -73.888438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.888438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.888438 (E_RNA) where: Base-Base interactions energy: -26.200 where: short stacking energy: -25.673 Base-Backbone interact. energy: -0.191 local terms energy: -47.497035 where: bonds (distance) C4'-P energy: -13.907 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -151.716671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.716671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.716671 (E_RNA) where: Base-Base interactions energy: -92.641 where: short stacking energy: -61.224 Base-Backbone interact. energy: -0.105 local terms energy: -58.971346 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -13.906 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -13.158 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: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -141.648301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.648301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.648301 (E_RNA) where: Base-Base interactions energy: -86.650 where: short stacking energy: -44.486 Base-Backbone interact. energy: 0.507 local terms energy: -55.504893 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -6.749 tors. eta vs tors. theta energy: -10.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -150.303840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.303840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.303840 (E_RNA) where: Base-Base interactions energy: -84.365 where: short stacking energy: -66.679 Base-Backbone interact. energy: -0.383 local terms energy: -65.556201 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -159.325234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.325234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.325234 (E_RNA) where: Base-Base interactions energy: -92.173 where: short stacking energy: -64.129 Base-Backbone interact. energy: -0.063 local terms energy: -67.089007 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -10.508 tors. eta vs tors. theta energy: -16.297 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: 5, replica: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -132.085782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.085782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.085782 (E_RNA) where: Base-Base interactions energy: -73.071 where: short stacking energy: -46.889 Base-Backbone interact. energy: -0.006 local terms energy: -59.008253 where: bonds (distance) C4'-P energy: -14.301 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -13.348 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -9.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -90.424107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.424107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.424107 (E_RNA) where: Base-Base interactions energy: -41.921 where: short stacking energy: -30.926 Base-Backbone interact. energy: -0.099 local terms energy: -48.403931 where: bonds (distance) C4'-P energy: -15.079 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -5.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -120.107884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.107884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.107884 (E_RNA) where: Base-Base interactions energy: -71.309 where: short stacking energy: -39.990 Base-Backbone interact. energy: -0.183 local terms energy: -48.616518 where: bonds (distance) C4'-P energy: -8.157 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -3.277 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: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -90.306415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.306415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.306415 (E_RNA) where: Base-Base interactions energy: -40.037 where: short stacking energy: -40.037 Base-Backbone interact. energy: -0.046 local terms energy: -50.224092 where: bonds (distance) C4'-P energy: -9.363 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -7.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -75.535808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.535808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.535808 (E_RNA) where: Base-Base interactions energy: -42.001 where: short stacking energy: -24.108 Base-Backbone interact. energy: 0.073 local terms energy: -33.608208 where: bonds (distance) C4'-P energy: -8.512 bonds (distance) P-C4' energy: -11.402 flat angles C4'-P-C4' energy: -0.349 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -79.219409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.219409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.219409 (E_RNA) where: Base-Base interactions energy: -35.902 where: short stacking energy: -29.868 Base-Backbone interact. energy: -0.035 local terms energy: -43.282444 where: bonds (distance) C4'-P energy: -9.411 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -179.422801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.422801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.422801 (E_RNA) where: Base-Base interactions energy: -103.439 where: short stacking energy: -68.007 Base-Backbone interact. energy: -0.000 local terms energy: -75.983152 where: bonds (distance) C4'-P energy: -15.241 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -16.161 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -18.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -152.537568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.537568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.537568 (E_RNA) where: Base-Base interactions energy: -90.081 where: short stacking energy: -65.325 Base-Backbone interact. energy: -0.000 local terms energy: -62.455940 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -13.599 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: 7 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -137.749791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.749791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.749791 (E_RNA) where: Base-Base interactions energy: -71.814 where: short stacking energy: -41.974 Base-Backbone interact. energy: -0.037 local terms energy: -65.899054 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -11.128 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: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -148.029627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.029627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.029627 (E_RNA) where: Base-Base interactions energy: -88.203 where: short stacking energy: -66.799 Base-Backbone interact. energy: -0.043 local terms energy: -59.783259 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -7.835 tors. eta vs tors. theta energy: -18.770 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: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -143.409284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.409284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.409284 (E_RNA) where: Base-Base interactions energy: -84.871 where: short stacking energy: -51.910 Base-Backbone interact. energy: -0.001 local terms energy: -58.537175 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -10.453 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -102.375945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.375945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.375945 (E_RNA) where: Base-Base interactions energy: -52.598 where: short stacking energy: -52.598 Base-Backbone interact. energy: -0.092 local terms energy: -49.685859 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -121.227372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.227372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.227372 (E_RNA) where: Base-Base interactions energy: -71.613 where: short stacking energy: -45.819 Base-Backbone interact. energy: -0.001 local terms energy: -49.613430 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -10.103 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -82.116905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.116905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.116905 (E_RNA) where: Base-Base interactions energy: -38.593 where: short stacking energy: -36.314 Base-Backbone interact. energy: -0.171 local terms energy: -43.353435 where: bonds (distance) C4'-P energy: -10.675 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -8.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -81.188875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.188875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.188875 (E_RNA) where: Base-Base interactions energy: -32.355 where: short stacking energy: -32.355 Base-Backbone interact. energy: 0.062 local terms energy: -48.895920 where: bonds (distance) C4'-P energy: -12.301 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -73.451916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.451916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.451916 (E_RNA) where: Base-Base interactions energy: -29.880 where: short stacking energy: -29.649 Base-Backbone interact. energy: -0.253 local terms energy: -43.319717 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -10.535 flat angles C4'-P-C4' energy: -10.273 flat angles P-C4'-P energy: -6.269 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: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -166.387524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.387524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.387524 (E_RNA) where: Base-Base interactions energy: -102.258 where: short stacking energy: -60.476 Base-Backbone interact. energy: -0.007 local terms energy: -64.121730 where: bonds (distance) C4'-P energy: -13.969 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -14.347 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: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -156.495925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.495925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.495925 (E_RNA) where: Base-Base interactions energy: -99.522 where: short stacking energy: -58.422 Base-Backbone interact. energy: -0.003 local terms energy: -56.969946 where: bonds (distance) C4'-P energy: -9.190 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -9.584 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: 3, replica: 4 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -141.517291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.517291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.517291 (E_RNA) where: Base-Base interactions energy: -81.708 where: short stacking energy: -51.577 Base-Backbone interact. energy: -0.009 local terms energy: -59.799765 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -13.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -147.973760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.973760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.973760 (E_RNA) where: Base-Base interactions energy: -91.352 where: short stacking energy: -56.147 Base-Backbone interact. energy: -0.079 local terms energy: -56.542631 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -11.553 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -11.838 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: 5, replica: 5 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -131.296988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.296988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.296988 (E_RNA) where: Base-Base interactions energy: -77.488 where: short stacking energy: -46.416 Base-Backbone interact. energy: -0.018 local terms energy: -53.790924 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -9.943 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: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -108.142855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.142855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.142855 (E_RNA) where: Base-Base interactions energy: -53.526 where: short stacking energy: -46.278 Base-Backbone interact. energy: 0.033 local terms energy: -54.650398 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -9.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -93.899803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.899803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.899803 (E_RNA) where: Base-Base interactions energy: -39.426 where: short stacking energy: -37.887 Base-Backbone interact. energy: -0.293 local terms energy: -54.181032 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -89.358485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.358485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.358485 (E_RNA) where: Base-Base interactions energy: -52.591 where: short stacking energy: -52.573 Base-Backbone interact. energy: -0.046 local terms energy: -36.721443 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -11.235 flat angles P-C4'-P energy: -1.126 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -89.103415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.103415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.103415 (E_RNA) where: Base-Base interactions energy: -43.771 where: short stacking energy: -37.828 Base-Backbone interact. energy: -0.036 local terms energy: -45.296798 where: bonds (distance) C4'-P energy: -11.064 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -74.379587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.379587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.379587 (E_RNA) where: Base-Base interactions energy: -27.068 where: short stacking energy: -25.156 Base-Backbone interact. energy: 0.083 local terms energy: -47.393911 where: bonds (distance) C4'-P energy: -8.753 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -156.740163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.740163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.740163 (E_RNA) where: Base-Base interactions energy: -88.845 where: short stacking energy: -53.978 Base-Backbone interact. energy: -0.001 local terms energy: -67.893974 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -12.550 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -161.247459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.247459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.247459 (E_RNA) where: Base-Base interactions energy: -93.468 where: short stacking energy: -55.126 Base-Backbone interact. energy: 0.075 local terms energy: -67.854048 where: bonds (distance) C4'-P energy: -14.318 bonds (distance) P-C4' energy: -12.676 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -12.082 tors. eta vs tors. theta energy: -13.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -137.236396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.236396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.236396 (E_RNA) where: Base-Base interactions energy: -76.864 where: short stacking energy: -54.220 Base-Backbone interact. energy: -0.475 local terms energy: -59.897481 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -7.882 tors. eta vs tors. theta energy: -12.561 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: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -126.554771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.554771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.554771 (E_RNA) where: Base-Base interactions energy: -73.029 where: short stacking energy: -44.387 Base-Backbone interact. energy: -0.123 local terms energy: -53.402773 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: -6.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -132.702467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.702467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.702467 (E_RNA) where: Base-Base interactions energy: -77.717 where: short stacking energy: -47.787 Base-Backbone interact. energy: -0.000 local terms energy: -54.985411 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -7.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -96.224927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.224927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.224927 (E_RNA) where: Base-Base interactions energy: -42.728 where: short stacking energy: -42.240 Base-Backbone interact. energy: -0.003 local terms energy: -53.494629 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -12.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -90.791141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.791141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.791141 (E_RNA) where: Base-Base interactions energy: -48.306 where: short stacking energy: -42.204 Base-Backbone interact. energy: -0.123 local terms energy: -42.362033 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -8.659 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -91.494022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.494022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.494022 (E_RNA) where: Base-Base interactions energy: -41.936 where: short stacking energy: -40.003 Base-Backbone interact. energy: -0.074 local terms energy: -49.483446 where: bonds (distance) C4'-P energy: -13.105 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -6.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -78.756778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.756778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.756778 (E_RNA) where: Base-Base interactions energy: -38.009 where: short stacking energy: -22.793 Base-Backbone interact. energy: -0.707 local terms energy: -40.040575 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.449 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -89.007048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.007048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.007048 (E_RNA) where: Base-Base interactions energy: -32.926 where: short stacking energy: -31.712 Base-Backbone interact. energy: -0.070 local terms energy: -56.011233 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -10.975 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: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -153.423540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.423540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.423540 (E_RNA) where: Base-Base interactions energy: -90.290 where: short stacking energy: -50.705 Base-Backbone interact. energy: -0.386 local terms energy: -62.746987 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -11.562 tors. eta vs tors. theta energy: -9.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -160.583083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.583083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.583083 (E_RNA) where: Base-Base interactions energy: -95.879 where: short stacking energy: -58.599 Base-Backbone interact. energy: -0.012 local terms energy: -64.691978 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -7.788 tors. eta vs tors. theta energy: -13.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -145.828695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.828695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.828695 (E_RNA) where: Base-Base interactions energy: -92.577 where: short stacking energy: -52.694 Base-Backbone interact. energy: -0.623 local terms energy: -52.628774 where: bonds (distance) C4'-P energy: -11.909 bonds (distance) P-C4' energy: -10.263 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -10.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -137.241560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.241560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.241560 (E_RNA) where: Base-Base interactions energy: -77.165 where: short stacking energy: -48.149 Base-Backbone interact. energy: -0.015 local terms energy: -60.061861 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -11.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -121.112319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.112319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.112319 (E_RNA) where: Base-Base interactions energy: -80.936 where: short stacking energy: -44.766 Base-Backbone interact. energy: -0.175 local terms energy: -40.001504 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -11.448 flat angles C4'-P-C4' energy: -9.512 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -101.273116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.273116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.273116 (E_RNA) where: Base-Base interactions energy: -46.850 where: short stacking energy: -44.793 Base-Backbone interact. energy: -0.046 local terms energy: -54.377152 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -10.523 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -8.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -80.558056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.558056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.558056 (E_RNA) where: Base-Base interactions energy: -32.092 where: short stacking energy: -32.050 Base-Backbone interact. energy: -0.107 local terms energy: -48.358554 where: bonds (distance) C4'-P energy: -14.268 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -83.020132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.020132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.020132 (E_RNA) where: Base-Base interactions energy: -42.843 where: short stacking energy: -37.813 Base-Backbone interact. energy: -0.755 local terms energy: -39.421690 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -10.804 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -86.483754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.483754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.483754 (E_RNA) where: Base-Base interactions energy: -40.978 where: short stacking energy: -40.978 Base-Backbone interact. energy: -0.100 local terms energy: -45.405568 where: bonds (distance) C4'-P energy: -8.461 bonds (distance) P-C4' energy: -9.788 flat angles C4'-P-C4' energy: -10.151 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -10.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -77.827310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.827310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.827310 (E_RNA) where: Base-Base interactions energy: -32.101 where: short stacking energy: -32.101 Base-Backbone interact. energy: 0.361 local terms energy: -46.087948 where: bonds (distance) C4'-P energy: -10.914 bonds (distance) P-C4' energy: -9.905 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -8.615 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: 1, replica: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -160.240545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.240545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.240545 (E_RNA) where: Base-Base interactions energy: -91.681 where: short stacking energy: -57.108 Base-Backbone interact. energy: 0.382 local terms energy: -68.941134 where: bonds (distance) C4'-P energy: -14.574 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: -15.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -147.612193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.612193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.612193 (E_RNA) where: Base-Base interactions energy: -84.846 where: short stacking energy: -55.854 Base-Backbone interact. energy: -0.004 local terms energy: -62.762468 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -10.477 flat angles P-C4'-P energy: -8.673 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: 3, replica: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -127.329861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.329861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.329861 (E_RNA) where: Base-Base interactions energy: -68.866 where: short stacking energy: -42.112 Base-Backbone interact. energy: -0.098 local terms energy: -58.365861 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -9.188 tors. eta vs tors. theta energy: -11.004 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: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -133.667313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.667313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.667313 (E_RNA) where: Base-Base interactions energy: -75.039 where: short stacking energy: -43.570 Base-Backbone interact. energy: 0.084 local terms energy: -58.711830 where: bonds (distance) C4'-P energy: -10.475 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -106.778592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.778592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.778592 (E_RNA) where: Base-Base interactions energy: -47.880 where: short stacking energy: -47.880 Base-Backbone interact. energy: -0.060 local terms energy: -58.838144 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -7.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -120.506478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.506478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.506478 (E_RNA) where: Base-Base interactions energy: -68.897 where: short stacking energy: -34.028 Base-Backbone interact. energy: -1.270 local terms energy: -50.339697 where: bonds (distance) C4'-P energy: -11.411 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -85.367223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.367223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.367223 (E_RNA) where: Base-Base interactions energy: -44.145 where: short stacking energy: -41.091 Base-Backbone interact. energy: -0.177 local terms energy: -41.045026 where: bonds (distance) C4'-P energy: -8.981 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -107.062682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.062682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.062682 (E_RNA) where: Base-Base interactions energy: -51.172 where: short stacking energy: -46.613 Base-Backbone interact. energy: -0.091 local terms energy: -55.799586 where: bonds (distance) C4'-P energy: -14.078 bonds (distance) P-C4' energy: -9.574 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -6.905 tors. eta vs tors. theta energy: -11.476 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: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -72.352504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.352504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.352504 (E_RNA) where: Base-Base interactions energy: -33.171 where: short stacking energy: -28.172 Base-Backbone interact. energy: -0.085 local terms energy: -39.096083 where: bonds (distance) C4'-P energy: -9.060 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -7.279 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: 1 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -72.412235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.412235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.412235 (E_RNA) where: Base-Base interactions energy: -27.942 where: short stacking energy: -27.942 Base-Backbone interact. energy: -0.042 local terms energy: -44.428252 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -9.912 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -168.125279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.125279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.125279 (E_RNA) where: Base-Base interactions energy: -100.557 where: short stacking energy: -61.851 Base-Backbone interact. energy: -0.014 local terms energy: -67.554609 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -15.119 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: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -151.305306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.305306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.305306 (E_RNA) where: Base-Base interactions energy: -88.181 where: short stacking energy: -53.486 Base-Backbone interact. energy: -0.019 local terms energy: -63.105153 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -11.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -141.301860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.301860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.301860 (E_RNA) where: Base-Base interactions energy: -79.629 where: short stacking energy: -50.361 Base-Backbone interact. energy: -0.576 local terms energy: -61.096380 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -8.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -139.427650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.427650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.427650 (E_RNA) where: Base-Base interactions energy: -89.969 where: short stacking energy: -56.061 Base-Backbone interact. energy: -0.082 local terms energy: -49.376424 where: bonds (distance) C4'-P energy: -7.628 bonds (distance) P-C4' energy: -11.909 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -10.215 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: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -99.747954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.747954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.747954 (E_RNA) where: Base-Base interactions energy: -49.009 where: short stacking energy: -48.319 Base-Backbone interact. energy: -0.130 local terms energy: -50.608965 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -10.212 flat angles C4'-P-C4' energy: -12.100 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -8.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -106.614515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.614515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.614515 (E_RNA) where: Base-Base interactions energy: -53.825 where: short stacking energy: -50.396 Base-Backbone interact. energy: -0.042 local terms energy: -52.747531 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -12.161 flat angles C4'-P-C4' energy: -12.755 flat angles P-C4'-P energy: -6.644 tors. eta vs tors. theta energy: -9.862 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: 4 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -115.800730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.800730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.800730 (E_RNA) where: Base-Base interactions energy: -72.757 where: short stacking energy: -46.474 Base-Backbone interact. energy: -0.329 local terms energy: -42.715018 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -9.860 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: 0.763 tors. eta vs tors. theta energy: -9.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -80.647914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.647914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.647914 (E_RNA) where: Base-Base interactions energy: -29.531 where: short stacking energy: -26.897 Base-Backbone interact. energy: -0.159 local terms energy: -50.958442 where: bonds (distance) C4'-P energy: -10.570 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: -8.518 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: 9, replica: 6 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -76.053155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.053155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.053155 (E_RNA) where: Base-Base interactions energy: -38.857 where: short stacking energy: -38.857 Base-Backbone interact. energy: -0.339 local terms energy: -36.856611 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -0.248 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -80.855325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.855325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.855325 (E_RNA) where: Base-Base interactions energy: -31.229 where: short stacking energy: -31.229 Base-Backbone interact. energy: -0.265 local terms energy: -49.360628 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -9.780 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -7.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -159.205325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.205325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.205325 (E_RNA) where: Base-Base interactions energy: -90.298 where: short stacking energy: -58.548 Base-Backbone interact. energy: -0.192 local terms energy: -68.714924 where: bonds (distance) C4'-P energy: -12.558 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -15.542 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: 7 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -148.576384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.576384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.576384 (E_RNA) where: Base-Base interactions energy: -90.348 where: short stacking energy: -55.414 Base-Backbone interact. energy: -0.009 local terms energy: -58.218787 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -9.977 flat angles P-C4'-P energy: -8.518 tors. eta vs tors. theta energy: -13.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -142.210064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.210064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.210064 (E_RNA) where: Base-Base interactions energy: -84.293 where: short stacking energy: -53.910 Base-Backbone interact. energy: -0.010 local terms energy: -57.906889 where: bonds (distance) C4'-P energy: -11.058 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -8.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -131.772857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.772857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.772857 (E_RNA) where: Base-Base interactions energy: -76.001 where: short stacking energy: -45.620 Base-Backbone interact. energy: -0.005 local terms energy: -55.766250 where: bonds (distance) C4'-P energy: -15.249 bonds (distance) P-C4' energy: -13.136 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -8.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -107.044748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.044748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.044748 (E_RNA) where: Base-Base interactions energy: -51.214 where: short stacking energy: -51.214 Base-Backbone interact. energy: -0.026 local terms energy: -55.804236 where: bonds (distance) C4'-P energy: -7.541 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -14.990 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -12.133 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: 494 Temperature: 1.150000 Total energy: -93.142817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.142817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.142817 (E_RNA) where: Base-Base interactions energy: -34.994 where: short stacking energy: -34.994 Base-Backbone interact. energy: 0.051 local terms energy: -58.199528 where: bonds (distance) C4'-P energy: -14.694 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -7.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -95.749055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.749055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.749055 (E_RNA) where: Base-Base interactions energy: -47.196 where: short stacking energy: -35.620 Base-Backbone interact. energy: 0.204 local terms energy: -48.756759 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -102.460102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.460102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.460102 (E_RNA) where: Base-Base interactions energy: -52.419 where: short stacking energy: -33.191 Base-Backbone interact. energy: -0.905 local terms energy: -49.135668 where: bonds (distance) C4'-P energy: -10.687 bonds (distance) P-C4' energy: -11.611 flat angles C4'-P-C4' energy: -13.324 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -77.429239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.429239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.429239 (E_RNA) where: Base-Base interactions energy: -32.221 where: short stacking energy: -30.815 Base-Backbone interact. energy: 0.893 local terms energy: -46.102058 where: bonds (distance) C4'-P energy: -5.516 bonds (distance) P-C4' energy: -10.100 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -7.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -74.590096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.590096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.590096 (E_RNA) where: Base-Base interactions energy: -31.330 where: short stacking energy: -28.905 Base-Backbone interact. energy: -0.241 local terms energy: -43.019017 where: bonds (distance) C4'-P energy: -12.206 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -1.722 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/EBNA1_rna_g-quadrupl-eacf1394_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -154.679059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.679059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.679059 (E_RNA) where: Base-Base interactions energy: -93.504 where: short stacking energy: -62.651 Base-Backbone interact. energy: -0.007 local terms energy: -61.167549 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -7.683 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: 2, replica: 8 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -160.024701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.024701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.024701 (E_RNA) where: Base-Base interactions energy: -97.783 where: short stacking energy: -64.758 Base-Backbone interact. energy: -0.002 local terms energy: -62.239360 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -13.909 flat angles P-C4'-P energy: -7.048 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: 3, replica: 7 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -147.606277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.606277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.606277 (E_RNA) where: Base-Base interactions energy: -89.244 where: short stacking energy: -47.730 Base-Backbone interact. energy: -0.739 local terms energy: -57.623104 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -133.486609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.486609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.486609 (E_RNA) where: Base-Base interactions energy: -76.703 where: short stacking energy: -51.718 Base-Backbone interact. energy: -0.150 local terms energy: -56.633843 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -10.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -92.495649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.495649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.495649 (E_RNA) where: Base-Base interactions energy: -42.797 where: short stacking energy: -39.482 Base-Backbone interact. energy: -0.103 local terms energy: -49.595701 where: bonds (distance) C4'-P energy: -5.471 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -7.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -99.436542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.436542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.436542 (E_RNA) where: Base-Base interactions energy: -45.094 where: short stacking energy: -43.137 Base-Backbone interact. energy: -1.306 local terms energy: -53.035853 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -15.500 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -97.684373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.684373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.684373 (E_RNA) where: Base-Base interactions energy: -45.080 where: short stacking energy: -45.047 Base-Backbone interact. energy: -0.138 local terms energy: -52.465936 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -10.036 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -8.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -89.036652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.036652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.036652 (E_RNA) where: Base-Base interactions energy: -48.571 where: short stacking energy: -35.289 Base-Backbone interact. energy: -0.110 local terms energy: -40.355452 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -12.941 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -2.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -80.529166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.529166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.529166 (E_RNA) where: Base-Base interactions energy: -34.027 where: short stacking energy: -27.729 Base-Backbone interact. energy: -0.157 local terms energy: -46.345028 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -15.341 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -2.361 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -81.939525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.939525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.939525 (E_RNA) where: Base-Base interactions energy: -35.816 where: short stacking energy: -34.157 Base-Backbone interact. energy: -0.123 local terms energy: -46.000550 where: bonds (distance) C4'-P energy: -9.884 bonds (distance) P-C4' energy: -10.993 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -154.887490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.887490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.887490 (E_RNA) where: Base-Base interactions energy: -95.754 where: short stacking energy: -58.016 Base-Backbone interact. energy: -0.068 local terms energy: -59.065867 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -13.308 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: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -147.064907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.064907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.064907 (E_RNA) where: Base-Base interactions energy: -90.404 where: short stacking energy: -56.325 Base-Backbone interact. energy: 0.575 local terms energy: -57.236263 where: bonds (distance) C4'-P energy: -12.044 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -10.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -141.418354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.418354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.418354 (E_RNA) where: Base-Base interactions energy: -88.034 where: short stacking energy: -56.526 Base-Backbone interact. energy: 0.133 local terms energy: -53.517346 where: bonds (distance) C4'-P energy: -9.903 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -9.435 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: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -123.681543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.681543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.681543 (E_RNA) where: Base-Base interactions energy: -73.041 where: short stacking energy: -43.696 Base-Backbone interact. energy: -0.005 local terms energy: -50.635500 where: bonds (distance) C4'-P energy: -9.461 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -8.938 tors. eta vs tors. theta energy: -7.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -96.297477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.297477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.297477 (E_RNA) where: Base-Base interactions energy: -42.925 where: short stacking energy: -41.364 Base-Backbone interact. energy: -0.057 local terms energy: -53.315302 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -7.595 tors. eta vs tors. theta energy: -6.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -111.437936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.437936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.437936 (E_RNA) where: Base-Base interactions energy: -48.754 where: short stacking energy: -44.951 Base-Backbone interact. energy: -0.119 local terms energy: -62.565374 where: bonds (distance) C4'-P energy: -15.001 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -13.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -85.067670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.067670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.067670 (E_RNA) where: Base-Base interactions energy: -48.920 where: short stacking energy: -37.278 Base-Backbone interact. energy: -0.170 local terms energy: -35.977287 where: bonds (distance) C4'-P energy: -3.988 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -8.483 flat angles P-C4'-P energy: -7.082 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -94.667323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.667323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.667323 (E_RNA) where: Base-Base interactions energy: -49.913 where: short stacking energy: -42.290 Base-Backbone interact. energy: -0.081 local terms energy: -44.672510 where: bonds (distance) C4'-P energy: -7.805 bonds (distance) P-C4' energy: -11.480 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -7.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -83.880772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.880772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.880772 (E_RNA) where: Base-Base interactions energy: -38.592 where: short stacking energy: -32.650 Base-Backbone interact. energy: 0.459 local terms energy: -45.747539 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -9.659 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -70.661417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.661417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.661417 (E_RNA) where: Base-Base interactions energy: -30.265 where: short stacking energy: -27.519 Base-Backbone interact. energy: 1.615 local terms energy: -42.011972 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -8.696 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -3.773 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -161.966540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.966540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.966540 (E_RNA) where: Base-Base interactions energy: -101.359 where: short stacking energy: -54.567 Base-Backbone interact. energy: -0.033 local terms energy: -60.575036 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -12.718 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: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -146.231192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.231192 (E_RNA) where: Base-Base interactions energy: -86.606 where: short stacking energy: -55.235 Base-Backbone interact. energy: -0.008 local terms energy: -59.616574 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -9.932 flat angles P-C4'-P energy: -11.489 tors. eta vs tors. theta energy: -14.823 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: 7 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -146.095057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.095057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.095057 (E_RNA) where: Base-Base interactions energy: -85.031 where: short stacking energy: -58.012 Base-Backbone interact. energy: -0.001 local terms energy: -61.063791 where: bonds (distance) C4'-P energy: -9.781 bonds (distance) P-C4' energy: -11.762 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -15.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -145.624631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.624631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.624631 (E_RNA) where: Base-Base interactions energy: -92.608 where: short stacking energy: -56.909 Base-Backbone interact. energy: -0.404 local terms energy: -52.611916 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -13.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -97.666613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.666613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.666613 (E_RNA) where: Base-Base interactions energy: -52.289 where: short stacking energy: -36.333 Base-Backbone interact. energy: -0.076 local terms energy: -45.302177 where: bonds (distance) C4'-P energy: -13.937 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -6.935 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -110.767793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.767793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.767793 (E_RNA) where: Base-Base interactions energy: -59.384 where: short stacking energy: -35.191 Base-Backbone interact. energy: -0.160 local terms energy: -51.223536 where: bonds (distance) C4'-P energy: -12.364 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -90.235794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.235794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.235794 (E_RNA) where: Base-Base interactions energy: -44.150 where: short stacking energy: -42.676 Base-Backbone interact. energy: -0.004 local terms energy: -46.081408 where: bonds (distance) C4'-P energy: -7.305 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -11.224 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -85.848408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.848408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.848408 (E_RNA) where: Base-Base interactions energy: -37.888 where: short stacking energy: -31.568 Base-Backbone interact. energy: 1.574 local terms energy: -49.533682 where: bonds (distance) C4'-P energy: -10.658 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: -4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -79.059536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.059536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.059536 (E_RNA) where: Base-Base interactions energy: -34.197 where: short stacking energy: -34.197 Base-Backbone interact. energy: 0.150 local terms energy: -45.012689 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -5.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -87.504015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.504015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.504015 (E_RNA) where: Base-Base interactions energy: -38.051 where: short stacking energy: -33.114 Base-Backbone interact. energy: -0.381 local terms energy: -49.072018 where: bonds (distance) C4'-P energy: -13.759 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -166.261637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.261637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.261637 (E_RNA) where: Base-Base interactions energy: -106.475 where: short stacking energy: -65.545 Base-Backbone interact. energy: -0.062 local terms energy: -59.724815 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -8.685 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -8.857 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: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -144.216816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.216816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.216816 (E_RNA) where: Base-Base interactions energy: -82.462 where: short stacking energy: -53.545 Base-Backbone interact. energy: 0.047 local terms energy: -61.801230 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -14.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -146.361803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.361803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.361803 (E_RNA) where: Base-Base interactions energy: -94.653 where: short stacking energy: -42.711 Base-Backbone interact. energy: -0.228 local terms energy: -51.480204 where: bonds (distance) C4'-P energy: -7.743 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -8.709 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: 4, replica: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -124.980938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.980938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.980938 (E_RNA) where: Base-Base interactions energy: -72.508 where: short stacking energy: -42.364 Base-Backbone interact. energy: -0.069 local terms energy: -52.404141 where: bonds (distance) C4'-P energy: -9.155 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -7.770 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -97.710381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.710381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.710381 (E_RNA) where: Base-Base interactions energy: -48.156 where: short stacking energy: -45.422 Base-Backbone interact. energy: -0.014 local terms energy: -49.541257 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -9.626 flat angles P-C4'-P energy: -11.186 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -115.618689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.618689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.618689 (E_RNA) where: Base-Base interactions energy: -63.365 where: short stacking energy: -46.824 Base-Backbone interact. energy: -0.196 local terms energy: -52.058044 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -3.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -82.647421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.647421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.647421 (E_RNA) where: Base-Base interactions energy: -37.596 where: short stacking energy: -37.596 Base-Backbone interact. energy: -0.057 local terms energy: -44.994117 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -7.200 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: 10 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -82.232770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.232770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.232770 (E_RNA) where: Base-Base interactions energy: -34.194 where: short stacking energy: -34.194 Base-Backbone interact. energy: -0.078 local terms energy: -47.960344 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -8.007 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: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -77.698533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.698533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.698533 (E_RNA) where: Base-Base interactions energy: -34.117 where: short stacking energy: -25.617 Base-Backbone interact. energy: -1.126 local terms energy: -42.456004 where: bonds (distance) C4'-P energy: -9.026 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -6.364 flat angles P-C4'-P energy: -11.298 tors. eta vs tors. theta energy: -2.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -86.119898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.119898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.119898 (E_RNA) where: Base-Base interactions energy: -42.794 where: short stacking energy: -28.817 Base-Backbone interact. energy: -0.055 local terms energy: -43.270760 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -171.599782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.599782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.599782 (E_RNA) where: Base-Base interactions energy: -105.046 where: short stacking energy: -67.055 Base-Backbone interact. energy: 0.608 local terms energy: -67.161725 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -153.872172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.872172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.872172 (E_RNA) where: Base-Base interactions energy: -94.494 where: short stacking energy: -58.494 Base-Backbone interact. energy: -0.548 local terms energy: -58.830233 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -15.455 flat angles C4'-P-C4' energy: -10.767 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -13.108 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: 3, replica: 5 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -134.242642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.242642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.242642 (E_RNA) where: Base-Base interactions energy: -80.438 where: short stacking energy: -46.324 Base-Backbone interact. energy: -0.236 local terms energy: -53.568742 where: bonds (distance) C4'-P energy: -14.732 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -10.741 tors. eta vs tors. theta energy: -3.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -103.683562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.683562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.683562 (E_RNA) where: Base-Base interactions energy: -50.188 where: short stacking energy: -50.188 Base-Backbone interact. energy: -0.742 local terms energy: -52.754172 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -136.367583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.367583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.367583 (E_RNA) where: Base-Base interactions energy: -78.065 where: short stacking energy: -51.956 Base-Backbone interact. energy: -0.374 local terms energy: -57.928530 where: bonds (distance) C4'-P energy: -13.552 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -6.463 tors. eta vs tors. theta energy: -12.047 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: 6 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -103.598740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.598740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.598740 (E_RNA) where: Base-Base interactions energy: -51.567 where: short stacking energy: -51.567 Base-Backbone interact. energy: -0.009 local terms energy: -52.023431 where: bonds (distance) C4'-P energy: -14.590 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: 1.126 tors. eta vs tors. theta energy: -11.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -120.538166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.538166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.538166 (E_RNA) where: Base-Base interactions energy: -67.224 where: short stacking energy: -38.553 Base-Backbone interact. energy: -0.175 local terms energy: -53.139273 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -12.107 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -80.378863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.378863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.378863 (E_RNA) where: Base-Base interactions energy: -31.925 where: short stacking energy: -31.925 Base-Backbone interact. energy: 0.917 local terms energy: -49.370617 where: bonds (distance) C4'-P energy: -11.510 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.481 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -95.849084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.849084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.849084 (E_RNA) where: Base-Base interactions energy: -55.972 where: short stacking energy: -35.117 Base-Backbone interact. energy: -0.395 local terms energy: -39.482090 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -9.558 flat angles P-C4'-P energy: 0.876 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -73.196605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.196605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.196605 (E_RNA) where: Base-Base interactions energy: -27.514 where: short stacking energy: -25.311 Base-Backbone interact. energy: -0.018 local terms energy: -45.665459 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -11.857 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -166.899316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.899316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.899316 (E_RNA) where: Base-Base interactions energy: -106.472 where: short stacking energy: -67.442 Base-Backbone interact. energy: 0.666 local terms energy: -61.092905 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -11.989 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -11.199 tors. eta vs tors. theta energy: -12.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -147.468727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.468727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.468727 (E_RNA) where: Base-Base interactions energy: -86.909 where: short stacking energy: -47.617 Base-Backbone interact. energy: -0.328 local terms energy: -60.230956 where: bonds (distance) C4'-P energy: -13.838 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -9.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -149.673726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.673726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.673726 (E_RNA) where: Base-Base interactions energy: -91.175 where: short stacking energy: -55.207 Base-Backbone interact. energy: -0.017 local terms energy: -58.481395 where: bonds (distance) C4'-P energy: -13.924 bonds (distance) P-C4' energy: -12.385 flat angles C4'-P-C4' energy: -9.765 flat angles P-C4'-P energy: -9.428 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: 4, replica: 4 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -100.609965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.609965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.609965 (E_RNA) where: Base-Base interactions energy: -56.635 where: short stacking energy: -41.994 Base-Backbone interact. energy: -0.060 local terms energy: -43.914838 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -10.428 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -131.658829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.658829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.658829 (E_RNA) where: Base-Base interactions energy: -85.695 where: short stacking energy: -54.193 Base-Backbone interact. energy: -0.036 local terms energy: -45.928069 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -98.605284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.605284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.605284 (E_RNA) where: Base-Base interactions energy: -50.114 where: short stacking energy: -44.611 Base-Backbone interact. energy: -0.084 local terms energy: -48.407471 where: bonds (distance) C4'-P energy: -8.700 bonds (distance) P-C4' energy: -11.811 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -7.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -121.469058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.469058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.469058 (E_RNA) where: Base-Base interactions energy: -73.641 where: short stacking energy: -40.401 Base-Backbone interact. energy: -0.068 local terms energy: -47.760950 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -9.729 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -5.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -75.462934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.462934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.462934 (E_RNA) where: Base-Base interactions energy: -40.745 where: short stacking energy: -23.841 Base-Backbone interact. energy: -1.071 local terms energy: -33.647156 where: bonds (distance) C4'-P energy: -9.310 bonds (distance) P-C4' energy: -7.356 flat angles C4'-P-C4' energy: -10.351 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: 1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -74.231561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.231561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.231561 (E_RNA) where: Base-Base interactions energy: -35.311 where: short stacking energy: -19.534 Base-Backbone interact. energy: -0.848 local terms energy: -38.073165 where: bonds (distance) C4'-P energy: -10.029 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -88.921267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.921267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.921267 (E_RNA) where: Base-Base interactions energy: -35.140 where: short stacking energy: -35.130 Base-Backbone interact. energy: -0.838 local terms energy: -52.943387 where: bonds (distance) C4'-P energy: -15.099 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -7.700 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -161.544202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.544202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.544202 (E_RNA) where: Base-Base interactions energy: -97.223 where: short stacking energy: -59.822 Base-Backbone interact. energy: -0.083 local terms energy: -64.239152 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -6.934 tors. eta vs tors. theta energy: -16.379 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: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -152.884828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.884828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.884828 (E_RNA) where: Base-Base interactions energy: -92.257 where: short stacking energy: -58.414 Base-Backbone interact. energy: -0.468 local terms energy: -60.160371 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -3.555 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: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -151.289313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.289313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.289313 (E_RNA) where: Base-Base interactions energy: -87.163 where: short stacking energy: -51.354 Base-Backbone interact. energy: 0.438 local terms energy: -64.564752 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -10.876 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: 4, replica: 7 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -148.805138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.805138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.805138 (E_RNA) where: Base-Base interactions energy: -85.729 where: short stacking energy: -51.493 Base-Backbone interact. energy: -0.024 local terms energy: -63.052313 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -10.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -99.540582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.540582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.540582 (E_RNA) where: Base-Base interactions energy: -48.035 where: short stacking energy: -42.225 Base-Backbone interact. energy: -0.114 local terms energy: -51.391089 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -96.583672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.583672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.583672 (E_RNA) where: Base-Base interactions energy: -39.083 where: short stacking energy: -39.083 Base-Backbone interact. energy: -1.408 local terms energy: -56.092721 where: bonds (distance) C4'-P energy: -11.750 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -9.110 tors. eta vs tors. theta energy: -8.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -84.052258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.052258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.052258 (E_RNA) where: Base-Base interactions energy: -36.039 where: short stacking energy: -36.039 Base-Backbone interact. energy: -0.064 local terms energy: -47.949700 where: bonds (distance) C4'-P energy: -9.784 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -6.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -79.083202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.083202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.083202 (E_RNA) where: Base-Base interactions energy: -34.680 where: short stacking energy: -33.992 Base-Backbone interact. energy: -0.134 local terms energy: -44.269109 where: bonds (distance) C4'-P energy: -13.221 bonds (distance) P-C4' energy: -9.708 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -83.001620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.001620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.001620 (E_RNA) where: Base-Base interactions energy: -35.032 where: short stacking energy: -32.904 Base-Backbone interact. energy: -0.127 local terms energy: -47.842791 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -15.556 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -83.695360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.695360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.695360 (E_RNA) where: Base-Base interactions energy: -34.496 where: short stacking energy: -34.496 Base-Backbone interact. energy: -0.143 local terms energy: -49.056425 where: bonds (distance) C4'-P energy: -10.402 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 17843870 moves confirmed later: 21254484 all moves confirmed: 39098354 percent of confirmed moves: 4.887294 current total energy: -146.720706 recalc. total energy: -146.720706 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 18635150 moves confirmed later: 22310145 all moves confirmed: 40945295 percent of confirmed moves: 5.118162 current total energy: -127.594503 recalc. total energy: -127.594503 replica 7 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 16999223 moves confirmed later: 20107342 all moves confirmed: 37106565 percent of confirmed moves: 4.638321 current total energy: -112.784094 recalc. total energy: -112.784094 replica 2 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 16082355 moves confirmed later: 18824369 all moves confirmed: 34906724 percent of confirmed moves: 4.363340 current total energy: -94.921495 recalc. total energy: -94.921495 replica 6 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 14562336 moves confirmed later: 16810800 all moves confirmed: 31373136 percent of confirmed moves: 3.921642 current total energy: -50.991557 recalc. total energy: -50.991557 replica 4 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 17319652 moves confirmed later: 20509174 all moves confirmed: 37828826 percent of confirmed moves: 4.728603 current total energy: -53.917930 recalc. total energy: -53.917930 replica 1 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 17152180 moves confirmed later: 20256308 all moves confirmed: 37408488 percent of confirmed moves: 4.676061 current total energy: -64.291623 recalc. total energy: -64.291623 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 17691496 moves confirmed later: 21009089 all moves confirmed: 38700585 percent of confirmed moves: 4.837573 current total energy: -54.787849 recalc. total energy: -54.787849 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 18115384 moves confirmed later: 21611449 all moves confirmed: 39726833 percent of confirmed moves: 4.965854 current total energy: -38.403559 recalc. total energy: -38.403559 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 19009796 moves confirmed later: 22791305 all moves confirmed: 41801101 percent of confirmed moves: 5.225138 current total energy: -32.553118 recalc. total energy: -32.553118 Time of doing 8000000 iterations: 1533.321 seconds